Basic information
- CAS
2382-13-0- Standard SMILES
Cn1cnc2c(=S)nc(Cl)[nH]c21- InChIKey
KTYVDOXJDLAZHB-UHFFFAOYSA-N- Molecular formula
- C6H5ClN4S
- Average molar mass
- 200.65 g/mol
- Monoisotopic mass
- 199.992345
Names & identifiers
- Preferred name
- 9H-Purine-6-thiol, 2-chloro-9-methyl-
- IUPAC
- 2-chloro-9-methyl-3H-purine-6-thione
Names & synonyms
9H-Purine-6-thiol, 2-chloro-9-methyl-2382-13-02-Chloro-9-methyl-9H-purine-6-thiolDTXSID701785282-Chloro-9-methyl-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
2382-13-0- PubChem CID
- 3036366
- DTXSID
DTXSID70178528
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…