Basic information
- CAS
33071-33-9- Standard SMILES
Cc1ncc(C[n+]2csc(CCS(C)=O)c2C)c(N)n1.Cl.[Cl-]- InChIKey
VZVFDFSUPAHMEN-UHFFFAOYSA-M- Molecular formula
- C13H20Cl2N4OS2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 382.045559
Names & identifiers
- Preferred name
- Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)-, chloride, monohydrochloride
- IUPAC
- 2-methyl-5-[[4-methyl-5-(2-methylsulfinylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine;chloride;hydrochloride
Names & synonyms
Methylsulfinylethylthiamine33071-33-9Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)-, chloride, monohydrochlorideRefChem:3847803-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)thiazol-3-ium chloride hydrochlorideDTXSID609546913-[(6-Imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-5-[2-(methanesulfinyl)ethyl]-4-methyl-1,3-thiazol-3-ium chloride--hydrogen chloride (1/1/1)
Database identifiers
- CAS
33071-33-9- PubChem CID
- 214366
- DTXSID
DTXSID60954691
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…