Basic information
- Standard SMILES
ClCSc1ncc(Cl)cn1- InChIKey
PGBONSLCITYXTJ-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2S
- Average molar mass
- 195.07 g/mol
- Monoisotopic mass
- 193.9472247
Names & identifiers
- Preferred name
- 2-Chloromethylthio-5-chloropyrimidine
- IUPAC
- 5-chloro-2-(chloromethylsulfanyl)pyrimidine
Names & synonyms
5-chloro-2-((chloromethyl)thio)pyrimidine79686-00-3SCHEMBL9345467PGBONSLCITYXTJ-UHFFFAOYSA-N2-chloromethylthio-5-chloropyrimidine2-(Chloromethyl)thio-5-chloropyrimidine5-chloro-2-(chloromethyl)-thiopyrimidine
Database identifiers
- PubChem CID
- 13435135
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Related reactions
6 records
Compound notes
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