Basic information
- CAS
70958-50-8- Standard SMILES
CSc1c(N)nc(Cl)nc1N- InChIKey
GLRCVPBAAAKKHB-UHFFFAOYSA-N- Molecular formula
- C5H7ClN4S
- Average molar mass
- 190.66 g/mol
- Monoisotopic mass
- 190.0079951
Names & identifiers
- Preferred name
- 2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
- IUPAC
- 2-chloro-5-methylsulfanylpyrimidine-4,6-diamine
Names & synonyms
2-CHLORO-5-(METHYLTHIO)-4,6-PYRIMIDINEDIAMINE70958-50-82-chloro-5-(methylsulfanyl)pyrimidine-4,6-diamineSCHEMBL10982820DTXSID80221190
Database identifiers
- CAS
70958-50-8- PubChem CID
- 51216
- DTXSID
DTXSID80221190- Nikkaji
- J1.589.970K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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