2-Chloro-6-(cyclopropylmethylsulfanyl)pyridine
Basic information
- CAS
122733-96-4- Standard SMILES
Clc1cccc(SCC2CC2)n1- InChIKey
WDEQKYKBGRZOLI-UHFFFAOYSA-N- Molecular formula
- C9H10ClNS
- Average molar mass
- 199.7 g/mol
- Monoisotopic mass
- 199.0222482
Names & identifiers
- Preferred name
- 2-Chloro-6-(cyclopropylmethylsulfanyl)pyridine
- IUPAC
- 2-chloro-6-(cyclopropylmethylsulfanyl)pyridine
Names & synonyms
2-chloro-6-(cyclopropylmethylsulfanyl)pyridine122733-96-4SCHEMBL16334087WDEQKYKBGRZOLI-UHFFFAOYSA-NDTXSID7012573402-Chloro-6-[(cyclopropylmethyl)thio]pyridine2-Chloro-6-[(cyclopropylmethyl)sulfanyl]pyridine
Database identifiers
- CAS
122733-96-4- PubChem CID
- 85599217
- DTXSID
DTXSID701257340
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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