59733-97-0
THIAMINE THIAZOLONE PYROPHOSPHATE
Name
THIAMINE THIAZOLONE PYROPHOSPHATE
Formula
C12 H18 N4 O8 P2 S
MolWeight
440.308
1Identification
【Name】
THIAMINE THIAZOLONE PYROPHOSPHATE
【CAS】
【MDL】
MFCD13194924
【English Synonyms】
【Formula】
C12 H18 N4 O8 P2 S
【MolWeight】
440.308
【Inchi】
InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)
【InChIKey】
InChIKey=ZGJUYGIRPQSCFA-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(=O)n1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
THIAMINE THIAZOLONE PYROPHOSPHATE.cml
Quick Release
6-([2-AMINO-1-(PYRIDIN-3-YL)ETHYL]SULFANYL)-9H-PURINE
6-[(3-AMINO-1,1,1-TRIFLUOROBUTAN-2-YL)SULFANYL]-9H-PURINE
2-(9H-PURIN-6-YLSULFANYL)PYRIDINE-3-CARBONITRILE
3-[(9H-PURIN-6-YLSULFANYL)METHYL]BENZONITRILE
4-METHYL-2-(9H-PURIN-6-YLSULFANYL)CYCLOHEXANE-1-CARBONITRILE
N'-HYDROXY-2-METHYL-3-(9H-PURIN-6-YLSULFANYL)PROPANIMIDAMIDE
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Facus Pharmaceutical Co.,Ltd.
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