Isopropyl-beta-D-thiogalactopyranoside structure

3D Mol Similar

Isopropyl-beta-D-thiogalactopyranoside

: Iupac Name：(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol; CAS No.: 367-93-1; Molecular Weight：238.298; Modify Date.: 2022-11-29 10:28; Introduction: Isopropyl-beta-D-thiogalactopyranoside is used as an inducer for the activity of E. Coli lac operon. View more+

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1. Names and Identifiers

: 1.1 Name; Isopropyl-beta-D-thiogalactopyranoside; 1.2 Synonyms; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol 1-(Isopropylthio)-Β-Galactopyranside 1-ISOPROPYL-BETA-D-THIOGALACTOPYRANOSIDE 1-Methylethyl 1-thio-Β-D-galactopyranoside 1-methylethyl1-thio-.beta.-D-Galactopyranoside 1-Thio-beta-D-galactopyranoside, Isopropyl EINECS 206-703-0 IPTG IPTG (Isopropyl-β-D-thiogalatopyranoside) Isopropyl 1 Thio beta D galactopyranoside Isopropyl 1-thio-b-D-galactopyranoside Isopropyl 1-Thio-beta-D-galactopyranoside Isopropyl 1-thio-Β-D-galactopyranoside Isopropyl 2,3-O-isopropylidene-4-O-benzoyl-β-L-thiorhamnopyranoside isopropyl beta-D-thiogalactopyranoside Isopropyl Thiogalactoside Isopropyl Β-D-1-thiogalactopyranoside Isopropyl Β-D-thiogalactopyranoside Isopropyl Β-D-thiogalactoside Isopropyl Β-D-thiogalactoside (IPTG) Isopropyl-b-D-thiogalactopyranoside isopropyl-thiogalactopyranoside Isopropyl-Β-D-thiogalactopyranoside Isopropyl-Β-D-thiogalactoside MFCD00063273 POLYETYLENE GLYCOL 6000 MOL. BIOLOGY GRA propan-2-yl 1-thio-Β-D-galactopyranoside SULPHURIC ACID 0,01 MOL/L 0,02 N Thiogalactoside, Isopropyl UNII-X73VV2246B YPD BROTH E Β-D-Galactopyranoside, 1-methylethyl 1-thio-; View all

1.3 CAS No.: 367-93-1

1.4 CID: 656894

1.5 EINECS(EC#): 206-703-0

1.6 Molecular Formula: C9H18O5S (isomer)

1.7 Inchi: InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1

1.8 InChIkey: BPHPUYQFMNQIOC-NXRLNHOXSA-N

1.9 Canonical Smiles: CC(C)SC1C(C(C(C(O1)CO)O)O)O

1.10 Isomers Smiles: CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

2. Properties

2.1 Density: 1.37

2.1 Melting point: 105℃

2.1 Boiling point: 438.4 oC at 760 mmHg

2.1 Refractive index: 1.577

2.1 Flash Point: 219 oC

2.1 Precise Quality: 238.08700

2.1 PSA: 115.45000

2.1 logP: -1.07210

2.1 Appearance: white crystals

2.2 Storage: Store at -20°C.

2.3 Chemical Properties: White crystalline powder

2.4 Color/Form: White

2.5 pKa: 13.00±0.70(Predicted)

2.6 Water Solubility: H2O: soluble

2.7 Stability: Stable. Incompatible with strong oxidizing agents.

2.8 StorageTemp: ?20°C

3. Use and Manufacturing

3.1 Definition: ChEBI: An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur. Isopropyl-beta-D-thiogalactopyranosideSupplier

3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 22 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 7 of 22 companies. For more detailed information, please visit ECHA C&L website

Of the 4 notification(s) provided by 15 of 22 companies with hazard statement code(s):

H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (26.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (73.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (26.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501; View all

3.3 Usage: Isopropyl-beta-D-thiogalactopyranoside is used as an inducer for the activity of E. Coli lac operon.

4. Safety and Handling

4.1 Symbol: GHS07, GHS08

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R19;R40;R66

4.1 Safety Statements: S36/37

4.1 Hazard Declaration: H319-H351

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P281-P305 + P351 + P338

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

Mass

7. Synthesis Route

367-93-1Total: 5 Synthesis Route

439-03-2

367-93-1 280 Suppliers

Literatures:
Thiem, Joachim; Wiesner, Matthias Carbohydrate Research, 1993 , vol. 249, # 1 p. 197 - 206
Yield: null

3947-62-4 23 Suppliers

367-93-1 280 Suppliers

Literatures:
Schmidt, Richard R.; Stumpp, Michael Liebigs Annalen der Chemie, 1983 , # 7 p. 1249 - 1256
Yield: null

4163-60-4 131 Suppliers

367-93-1 280 Suppliers

Literatures:
Li, Aixiao; Kong, Fanzuo Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 3 p. 839 - 853
Yield: null

View all

8. Precursor and Product

precursor:

3947-62-4

439-03-2

3068-32-4

55692-87-0

75-33-2

4163-60-4

9. Other Information

9.0 Usage: Beta-galactosidase inducer.Isopropyl-β-D-thiogalactoside is used as a reagent in molecular biology. It is used as an effective inducer of protein expression where the gene is under the control of the lac operator. It is used with 5-bromo-4-chloro-3-indolyl-beta-D-galactopyranoside to identify the non-recombinant plasmid in cloning experiments by blue-white screen methodology.

9.1 Usage: Induces the lac operon in E. coli by binding and inactivating the lac repressor.Selection for lac Y mutants.Selection for recombinant plasmids containing β-galactosidase fusion proteins.Induces the cellular content of lactose permease.

9.2 Manufacturing Info: Wholesale and retail trade|.beta.-D-Galactopyranoside, 1-methylethyl 1-thio-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

10. Computational chemical data

Molecular Weight: 238.298g/mol
Molecular Formula: C₉H₁₈O₅S
Compound Is Canonicalized: True
XLogP3-AA: -0.5
Exact Mass: 238.08749484
Monoisotopic Mass: 238.08749484
Complexity: 201
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 115
Heavy Atom Count: 15
Defined Atom Stereocenter Count: 5
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBwOABAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgQACAAACBSkwAKCAAAABggAAAAAAAAAAAAAABAAAAAAAAABEAIgAAACQAAFAAAjAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

How does IPTG induce protein expression? Sep 28 2023
A molecular biology tool is isopropyl -D-1-thiogalactopyranoside (IPTG, commonly called lad-y). This substance is utilized to promote the production of E. coli proteins in situations where the lac ope..
What is the Role of Isopropyl β-D-1-thiogalactopyranoside (IPTG) in Scientific Research? Jul 04 2023
Title: What is the Role of Isopropyl β-D-1-thiogalactopyranoside (IPTG) in Scientific Research? Article: Isopropyl β-D-1-thiogalactopyranoside (IPTG) is a molecular biology reagent that plays a sign..
What is Isopropyl-beta-D-thiogalactopyranoside (IPTG) and its Applications in Molecular Biology? Nov 01 2019
Isopropyl-beta-D-thiogalactopyranoside (IPTG) is a valuable compound in molecular biology. It is an S-glycosyl compound composed of beta-D-1-thiogalactose with an attached isopropyl group on the anome..

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IPTG, Isopropyl-beta-D-thiogalactopyranoside C9H18O5S

Purity:99%Packing: 200kg/bag FOB
Price: 1.2 USD/g
Time: 2023/10/03

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Isopropyl-beta-D-thiogalactopyranoside CAS 367-93-1 Monosaccharides