4(1H)-Pyrimidinone, 5-chloro-2-(ethylthio)-
Basic information
- CAS
106146-79-6- Standard SMILES
CCSc1ncc(Cl)c(=O)[nH]1- InChIKey
DAEZJMUBVLKPBR-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2OS
- Average molar mass
- 190.65 g/mol
- Monoisotopic mass
- 189.9967617
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 5-chloro-2-(ethylthio)-
- IUPAC
- 5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
Names & synonyms
106146-79-64(1H)-Pyrimidinone, 5-chloro-2-(ethylthio)-DTXSID40345543RefChem:283611DTXCID302966165-Chloro-2-(ethylthio)pyrimidin-4(1H)-one2-Ethylthio-5-chloro-pyrimidin-4(3H)-oneDAEZJMUBVLKPBR-UHFFFAOYSA-N5-Chloro-2-(ethylsulfanyl)pyrimidin-4(3H)-one5-Chloro-2-(ethylsulfanyl)-4(3H)-pyrimidinone #
Database identifiers
- CAS
106146-79-6- PubChem CID
- 605402
- DTXSID
DTXSID40345543
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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