2,4-Dichloro-5-(thiophen-3-yl)pyrimidine
Basic information
- CAS
63558-75-8- Standard SMILES
Clc1ncc(-c2ccsc2)c(Cl)n1- InChIKey
BJBFJJVZAWOKCI-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2N2S
- Average molar mass
- 231.1 g/mol
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-(thiophen-3-yl)pyrimidine
- IUPAC
- 2,4-dichloro-5-thiophen-3-ylpyrimidine
- English name
- 2,4-Dichloro-5-(3-thienyl)pyrimidine
- Molecular formula
- C8H4Cl2N2S
- Molecular weight
- 231.1
Names & synonyms
63558-75-82,4-dichloro-5-(thiophen-3-yl)pyrimidine2,4-Dichloro-5-(3-thienyl)pyrimidineCS-47512Pyrimidine, 2,4-dichloro-5-(3-thienyl)-
Database identifiers
- CAS
63558-75-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 313.3 · 313.3±32.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- pka
- -3 · -3.00±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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