5-(Bromoacetyl)-4-methyl-1,3-thiazol-2(3H)-one
Basic information
- CAS
10531-40-5- Standard SMILES
Cc1[nH]c(=O)sc1C(=O)CBr- InChIKey
QMIJAXPFGOOGFO-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO2S
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 234.93026
Names & identifiers
- Preferred name
- 5-(Bromoacetyl)-4-methyl-1,3-thiazol-2(3H)-one
- IUPAC
- 5-(2-bromoacetyl)-4-methyl-3H-1,3-thiazol-2-one
Names & synonyms
10531-40-55-(Bromoacetyl)-4-methyl-1,3-thiazol-2(3H)-oneSCHEMBL10668490SCHEMBL16437821DTXSID70602939QMIJAXPFGOOGFO-UHFFFAOYSA-N5-(2-bromoacetyl)-2-hydroxy-4-methylthiazole
Database identifiers
- CAS
10531-40-5- PubChem CID
- 20145072
- DTXSID
DTXSID70602939
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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