Basic information
- CAS
106691-39-8- Standard SMILES
O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1Cl- InChIKey
PSTSWJHEFVJBSU-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0386265
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-3,4-dihydro-3-oxo-2H-1,4-benzothiazine-2-acetamide
- IUPAC
- N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
- English name
- N-(2-chlorophenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide
- Molecular formula
- C16H13ClN2O2S
- Molecular weight
- 332.8
Names & synonyms
106691-39-8N-(2-Chlorophenyl)-3,4-dihydro-3-oxo-2H-1,4-benzothiazine-2-acetamideRefChem:360617N-(2-Chlorophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamideN-(2-chlorophenyl)-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamidePSTSWJHEFVJBSU-UHFFFAOYSA-NZINC00108856N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamideCambridge id 5218940Oprea1_165407Oprea1_529007CBDivE_004182
Show more names
2H-1,4-Benzothiazine-2-acetamide, N-(2-chlorophenyl)-3,4-dihydro-3-oxo-N-(2-CHLORO-PHENYL)-2-(3-OXO-3,4-DIHYDRO-2H-BENZO(1,4)THIAZIN-2-YL)-ACETAMIDE
DTXSID801158054STL019970ZINC00108852AKOS000524785AKOS016193650CCG-109380EU-0008732ST50401754
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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