CAS
137764-28-4 Purity
96%
137764-28-4 Purity
96%
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Cetotiamine
CAS
137-76-8
Catalog Number
ACM137768
Category
Other Products
Molecular Formula
C18H26N4O6S
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Specification
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]-
IUPAC Name
ethyl [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate
Canonical SMILES
CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC
InChI Key
YBROOZNJUDHTGE-QINSGFPZSA-N
Boiling Point
610.2ºC at 760mmHg
Flash Point
322.8ºC
Density
1.277g/cm³
Exact Mass
426.15700
H-Bond Acceptor
9
H-Bond Donor
1
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137769-29-0 Purity
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137769-29-0 Purity
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137769-30-3 Purity
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137769-30-3 Purity
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