(2-Amino-5-methylthiophen-3-yl)(4-chlorophenyl)methanone
Basic information
- CAS
436093-32-2- Standard SMILES
Cc1cc(C(=O)c2ccc(Cl)cc2)c(N)s1- InChIKey
DEKFABDILAWJIA-UHFFFAOYSA-N- Molecular formula
- C12H10ClNOS
- Average molar mass
- 251.73 g/mol
- Monoisotopic mass
- 251.0171628
Names & identifiers
- Preferred name
- (2-Amino-5-methylthiophen-3-yl)(4-chlorophenyl)methanone
- IUPAC
- (2-amino-5-methylthiophen-3-yl)-(4-chlorophenyl)methanone
- English name
- 2-AMINO-3-CHLOROBENZOYL-5-METHYLTHIOPHENE
- Molecular formula
- C12H10ClNOS
- Molecular weight
- 251.73
Names & synonyms
(2-Amino-5-methylthiophen-3-yl)(4-chlorophenyl)methanone436093-32-2(2-amino-5-methylthiophen-3-yl)-(4-chlorophenyl)methanone3-(4-CHLOROBENZOYL)-5-METHYLTHIOPHEN-2-AMINEASN 04364361Oprea1_303948Oprea1_408034SCHEMBL21847326DTXSID30357675AKOS0007074362-AMINO-3-CHLOROBENZOYL-5-METHYLTHIOPHENE(2-Amino-5-methyl-3-thienyl)(4-chlorophenyl)methanone
Show more names
Methanone, (2-amino-5-methyl-3-thienyl)(4-chlorophenyl)-
Database identifiers
- CAS
436093-32-2- PubChem CID
- 859624
- DTXSID
DTXSID30357675
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 449 · 449.0±45.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone, Dichloromethane, Ether, Ethyl Acetate, Methanol
- form
- Solid
- pka
- -1.53 · -1.53±0.10(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesIntermediate in the preparation of psychotropic drugs
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Related reactions
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Compound notes
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