Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Vitamins, Amino Acids and Coenzymes  /  Pharmaceutical Intermediates  /  Antioxidants  /  Pharmaceutical  /  Others
T6908970 structure
T6908970 structure

T6908970

Iupac Name:5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
CAS No.:58-85-5
Molecular Weight:244.31
1. Names and Identifiers
1.1 Name
T6908970
1.2 Synonyms

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione MCULE-1723412596 MOLPORT-009-590-233 Z1090204718

1.3 CAS No.
58-85-5
1.4 CID
171548
1.5 Molecular Formula
C13H15ClF3NO (isomer)
1.6 Inchi
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
1.7 InChkey
YBJHBAHKTGYVGT-ZKWXMUAHSA-N
1.8 Canonical Smiles
C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
1.9 Isomers Smiles
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
2. Properties
3.1 Melting point
231-233 °C(lit.)
3.1 Refractive index
90.5 ° (C=2, 0.1mol/L NaOH)
3.1 Vapour pressure
1.19E-14mmHg at 25°C
3.1 Precise Quality
244.08800
3.1 PSA
103.73000
3.1 logP
1.45440
3. Safety and Handling
4.1 Risk Statements
20/21/22-36/37/38
4.1 Safety Statements
24/25-36-26
4.1 RIDADR
OTH
4.1 WGK Germany
1
4.1 RTECS
XJ9088200
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:244.31g/mol
  • Molecular Formula:C13H15ClF3NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.3
  • Exact Mass:244.08816355
  • Monoisotopic Mass:244.08816355
  • Complexity:298
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:104
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global608SuppliersView all >>
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
D-Biotin 99%
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
USP/EP standard D-Biotin CAS 58-85-5 with competitive price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1500 USD/kilogram
  • Time: 2022/05/27
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-888888
  • Email:jessica@zhanyaobio.com
Vitamin B7 Biotin Powder CAS 58-85-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/metric ton
  • Time: 2022/05/27
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-15176962104
  • Email:Alice@hbzebo.com
D(+)-Biotin cas 58-85-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/27
Inquire
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-86832068
  • Email:cynthia@hanhong-api.com
Food Additives D-Biotin CAS 58-85-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  USD/kilogram
  • Time: 2022/05/27
Inquire