1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethan-1-one
Basic information
- CAS
219539-29-4- Standard SMILES
CC(=O)C1=CN=C(c2ccc(Cl)cc2)SC1- InChIKey
NEKOTKLWPGNIOI-UHFFFAOYSA-N- Molecular formula
- C12H10ClNOS
- Average molar mass
- 251.73 g/mol
- Monoisotopic mass
- 251.0171628
Names & identifiers
- Preferred name
- 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethan-1-one
- IUPAC
- 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone
- English name
- 1-[2-(4-Chlorophenyl)-6H-1,3-thiazin-5-yl]ethan-1-one
- Molecular formula
- C12H10ClNOS
- Molecular weight
- 251.73
Names & synonyms
219539-29-41-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethan-1-one1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanoneEthanone,1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]-1-(2-(4-Chlorophenyl)-6H-1,3-thiazin-5-yl)ethanone1-(2-(4-Chlorophenyl)-6H-1,3-thiazin-5-yl)ethan-1-oneHMS545K13Maybridge1_001465DTXSID30384047CCG-54725MS-22220SR-01000643804-1
Show more names
Ethanone, 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]-
Database identifiers
- CAS
219539-29-4- PubChem CID
- 2799112
- DTXSID
DTXSID30384047
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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