Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Antibiotic and antimicrobial agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Other Auxiliary Agent  /  Other Inorganic Chemicals
N-ethyl-1,1-dioxothiolan-3-amine,hydrochloride structure
N-ethyl-1,1-dioxothiolan-3-amine,hydrochloride structure

N-ethyl-1,1-dioxothiolan-3-amine,hydrochloride

Iupac Name:2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;sulfuric acid
CAS No.:3810-74-0
Molecular Weight:1457.38
1. Names and Identifiers
1.1 Name
N-ethyl-1,1-dioxothiolan-3-amine,hydrochloride
1.2 Synonyms

(1,1-Dioxidotetrahydro-3-thienyl)ethylamine hydrochloride IFLAB-BB F1974-0013 N-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-N-ETHYLAMINE HYDROCHLORIDE N-ethyltetrahydro-3-thiophenamine 1,1-dioxide hydrochloride

1.3 CAS No.
3810-74-0
1.4 CID
19648
1.5 Molecular Formula
C32H28CL2FN5O7S2 (isomer)
1.6 Inchi
InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1
1.7 InChkey
QTENRWWVYAAPBI-YCRXJPFRSA-N
1.8 Canonical Smiles
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
1.9 Isomers Smiles
C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
2. 3D Conformer
3. Properties
3.1 Refractive Index
-85 ° (C=1, H2O)
4. Safety and Handling
4.1 Risk Statements
22-36/37/38-63-42/43
4.2 Safety Statements
26-36-36/37-45-22-60
4.3 Transport
OTH
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)

H317 May cause an allergic skin reaction

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:1457.38g/mol
  • Molecular Formula:C32H28CL2FN5O7S2
  • Compound Is Canonicalized:True
  • Exact Mass:1456.433
  • Monoisotopic Mass:1456.433
  • Complexity:1020
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:30
  • Hydrogen Bond Acceptor Count:42
  • Topological Polar Surface Area:922A^2
  • Heavy Atom Count:95
  • Defined Atom Stereocenter Count:30
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
  • CACTVS Substructure Key Fingerprint: AAADcfB//gBgAAAAAAAAAAAAAAAAASJAAAA0aIEAAAAAAAAAAAAAHgAQCAAADHzxgAcDCALABoAo AAgQpDIAAAEAAAAAAIFIAAATEBYAwAAnQAAHMAAXAAHycA8KAAAAAAAAAAACgAAUCACgAAAAAAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global263SuppliersView all >>
  • Products:CBD,443998-65-0,16648-44-5,BMK,PMK
  • Tel:86-191-31911055
  • Email:admin@hbbocao.com
Hight quality products streptomycin sesquisulfate 3810-74-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/10/15
Inquire
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-17798046959
  • Email:lisa@hbyingong.com
USP/EP/CVP GMP/DMF Steptomycin Sulfate CAS 3810-74-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/Gram
  • Time: 2021/07/27
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Hight quality products streptomycin sesquisulfate 3810-74-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/09
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Streptomycin sulfate CAS No.: 3810-74-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/02/24
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Streptomycin sulfateCAS NO.: 3810-74-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/Kilogram
  • Time: 2021/01/29
Inquire