Basic information
- CAS
6299-75-8- Standard SMILES
Nc1nc(S)c(-c2ccccc2)c(=S)[nH]1- InChIKey
NXMBGQAPXCODBE-UHFFFAOYSA-N- Molecular formula
- C10H9N3S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.02378965
Names & identifiers
- Preferred name
- 2-Amino-6-mercapto-5-phenylpyrimidine-4(3H)-thione
- IUPAC
- 2-amino-5-phenyl-4-sulfanyl-1H-pyrimidine-6-thione
Names & synonyms
6299-75-82-Amino-6-mercapto-5-phenylpyrimidine-4(3H)-thioneNSC45033DTXSID60398339NSC-450332-Amino-5-phenyl-6-sulfanylpyrimidine-4(3H)-thione
Database identifiers
- CAS
6299-75-8- PubChem CID
- 3976593
- DTXSID
DTXSID60398339
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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