2-Chloro-6-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-4-carbonitrile
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Basic information
- CAS
1407180-82-8- Standard SMILES
COc1ccccc1-c1cc2nc(Cl)nc(C#N)c2s1- InChIKey
OBAXOIGFKYWFQD-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3OS
- Average molar mass
- 301.8 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-4-carbonitrile
- IUPAC
- 2-chloro-6-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-4-carbonitrile
- English name
- 2-chloro-6-(2-Methoxyphenyl)thieno[3,2-d]pyriMidine-4-carbonitrile
- Molecular formula
- C14H8ClN3OS
- Molecular weight
- 301.75
Names & synonyms
1407180-82-82-chloro-6-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-4-carbonitrile2-Chloro-6-(2-methoxyphenyl)thieno-[3,2-d]pyrimidine-4-carbonitrileAKOS025404881Thieno[3,2-d]pyrimidine-4-carbonitrile, 2-chloro-6-(2-methoxyphenyl)-CS-0359162100759
Database identifiers
- CAS
1407180-82-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -2.53 · -2.53±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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