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Cetotiamine | CAS Number: 137-76-8

Catalog Number
ACM137768
Product Name
Cetotiamine
Structure
CAS Number
137-76-8
IUPAC Name
ethyl [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate
Synonyms
Cetotiamine;O,S-Bis(ethoxycarbonyl)thiamine;4-Amino-5-[(4-ethoxycarbonyloxy-2-ethoxycarbonylthio-1-methyl-1-butenyl)-N-formylaminomethyl]-2-methylpyrimidine;Carbonic acid 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-3-[(ethoxycarbonyl)thio]-
Exact Mass
426.15700
Molecular Formula
C18H26N4O6S
Boiling Point
610.2ºC at 760mmHg
Flash Point
322.8ºC
Density
1.277g/cm3
Purity
96%
SMILES
CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC
InChIKey
YBROOZNJUDHTGE-QINSGFPZSA-N
H-Bond Donor
1
H-Bond Acceptor
9
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Email:
Tel:1-201-478-8534
1-516-662-5404
Fax: 1-516-927-0118
Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA