S-Carbethoxythiamine hydrochloride

Base Information

• Chemical Name: S-Carbethoxythiamine hydrochloride
• CAS No.: 616-97-7
• Molecular Formula: C15H22N4O4S2•ClH
• Molecular Weight: 422.99
• Mol file: 616-97-7.mol

Synonyms:S-Carbethoxythiamine hydrochloride;S-Ethoxycarbonylthiamine hydrochloride;S-Aethoxy-carbonylthiamin hydrochlorid [German];S-Aethoxy-carbonylthiamin hydrochlorid;Carbonic acid, thio-, O-ethyl ester, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, hydrochloride;616-97-7;C15H22N4O4S.ClH;C15-H22-N4-O4-S.Cl-H;LS-52130;Carbonic acid, thio-, O-ethyl ester, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, monohydrochloride;Carbonothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl] O-ethyl ester, monohydrochloride

Chemical Property of S-Carbethoxythiamine hydrochloride

Chemical Property:

• Vapor Pressure: 2.08E-15mmHg at 25°C
• Boiling Point: 603.3°C at 760 mmHg
• Flash Point: 318.7°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 390.1128541
• Heavy Atom Count: 25
• Complexity: 461

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)SC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO.Cl
• Isomeric SMILES: CCOC(=O)S/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO.Cl