Basic information
- Standard SMILES
Clc1cnc(SCI)nc1- InChIKey
HUCDDPXTOUAWRA-UHFFFAOYSA-N- Molecular formula
- C5H4ClIN2S
- Average molar mass
- 286.52 g/mol
Names & identifiers
- Preferred name
- 2-(Iodomethyl)thio-5-chloropyrimidine
- IUPAC
- 5-chloro-2-(iodomethylsulfanyl)pyrimidine
Names & synonyms
SCHEMBL9345478HUCDDPXTOUAWRA-UHFFFAOYSA-N2-(Iodomethyl)thio-5-chloropyrimidine
Database identifiers
- PubChem CID
- 13435136
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
- 97.6
Related reactions
6 records
Compound notes
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