Basic information
- CAS
21721-74-4- Standard SMILES
CSc1nc(C2CC2)nc(Cl)c1C- InChIKey
UHSNPJFTQQFRHM-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2S
- Average molar mass
- 214.72 g/mol
- Monoisotopic mass
- 214.0331472
Names & identifiers
- Preferred name
- 4-Chloro-2-cyclopropyl-5-methyl-6-(methylthio)pyrimidine
- IUPAC
- 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine
Names & synonyms
DTXSID301236617AKOS0195463754-Chloro-2-cyclopropyl-5-methyl-6-(methylthio)pyrimidine4-Chloro-2-cyclopropyl-5-methyl-6-(methylsulfanyl)pyrimidine21721-74-4
Database identifiers
- CAS
21721-74-4- PubChem CID
- 80977486
- DTXSID
DTXSID301236617
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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