Basic information
- CAS
134028-70-9- Standard SMILES
C/C(=C(\CCO)SS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)[nH]c1=O)N(C=O)Cc1cnc(C)[nH]c1=O- InChIKey
WGGLPFWZMYFGFO-VHCHDEHKSA-N- Molecular formula
- C24H32N6O6S2
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.18247511
Names & identifiers
- Preferred name
- Oxythiamine disulfide
- IUPAC
- N-[(Z)-3-[[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
- English name
- oxythiamine disulfide
- Molecular formula
- C24H32N6O6S2
- Molecular weight
- 564.68
Names & synonyms
Oxythiamine disulfide134028-70-9RefChem:169100N-[(Z)-3-[[(Z)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamideFormamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(N-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-Formamide, N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]- (9CI)
Database identifiers
- CAS
134028-70-9- PubChem CID
- 3036062
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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