1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
Basic information
- CAS
41981-05-9- Standard SMILES
CC(=O)c1sc(-c2ccccc2)nc1CCl- InChIKey
DNVPOIZBWJBSQN-UHFFFAOYSA-N- Molecular formula
- C12H10ClNOS
- Average molar mass
- 251.73 g/mol
- Monoisotopic mass
- 251.0171628
Names & identifiers
- Preferred name
- 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
- IUPAC
- 1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
- English name
- 1-[4-(Chloromethyl)-2-phenyl-5-thiazolyl]ethanone
- Molecular weight
- 0
Names & synonyms
41981-05-91-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanoneEthanone, 1-[4-(chloromethyl)-2-phenyl-5-thiazolyl]-1-[4-(Chloromethyl)-2-phenyl-5-thiazolyl]ethanoneDTXSID50337257DNVPOIZBWJBSQN-UHFFFAOYSA-N1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethan-1-one1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone #
Database identifiers
- CAS
41981-05-9- PubChem CID
- 540758
- DTXSID
DTXSID50337257- Nikkaji
- J144.578B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
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Related reactions
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Compound notes
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