Basic information
- CAS
4175-03-5- Standard SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.I.[I-]- InChIKey
ZQVGYEFKXIDVRT-UHFFFAOYSA-M- Molecular formula
- C12H18I2N4OS
- Average molar mass
- 520.17 g/mol
- Monoisotopic mass
- 519.92908
Names & identifiers
- Preferred name
- 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;iodide;hydroiodide
- English name
- 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide
- Molecular formula
- C12H18I2N4OS
- Molecular weight
- 520.17146
Names & synonyms
4175-03-53-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM IODIDE MONOHYDROIODIDEEINECS 224-038-4DTXSID70961952ZQVGYEFKXIDVRT-UHFFFAOYSA-MNS000831655-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium iodide--hydrogen iodide (1/1/1)
Database identifiers
- CAS
4175-03-5- PubChem CID
- 77835
- DTXSID
DTXSID70961952- EC Number
- 224-038-4
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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