4,6-Dichloro-2-(5-methylthiophen-2-yl)pyrimidine
Basic information
- CAS
89508-40-7- Standard SMILES
Cc1ccc(-c2nc(Cl)cc(Cl)n2)s1- InChIKey
GOTMAPBEXNDSCQ-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2S
- Average molar mass
- 245.13 g/mol
- Monoisotopic mass
- 243.9628748
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-(5-methylthiophen-2-yl)pyrimidine
- IUPAC
- 4,6-dichloro-2-(5-methylthiophen-2-yl)pyrimidine
Names & synonyms
89508-40-74,6-Dichloro-2-(5-methylthiophen-2-yl)pyrimidineSCHEMBL10498461DTXSID80603230AKOS012922890
Database identifiers
- CAS
89508-40-7- PubChem CID
- 20165508
- DTXSID
DTXSID80603230
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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