Basic information
- CAS
201354-21-4- Standard SMILES
CC(=O)c1cccc(NC(=O)c2cccs2)c1- InChIKey
WYHAFIMGYHKFEX-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.05104977
Names & identifiers
- Preferred name
- N-(3-acetylphenyl)thiophene-2-carboxamide
- IUPAC
- N-(3-acetylphenyl)thiophene-2-carboxamide
- English name
- N-(3-acetylphenyl)thiophene-2-carboxamide
- Molecular formula
- C13H11NO2S
- Molecular weight
- 245.3
Names & synonyms
N-(3-acetylphenyl)thiophene-2-carboxamide201354-21-42-Thiophenecarboxamide, N-(3-acetylphenyl)-5319-94-8Cambridge id 5319948Thiophene-2-carboxylic acid (3-acetyl-phenyl)-amideDTXSID80967703STK362608AKOS000193124N-(3-acetylphenyl)-2-thienylcarboxamideST005691AB00080560-01
Show more names
UKRORGSYN-BB BBV-084972
AE-641/10069006SR-01000405394SR-01000405394-1Z30816361F0147-0031
Database identifiers
- CAS
201354-21-4、5319-94-8- PubChem CID
- 673733
- DTXSID
DTXSID80967703- EC Number
- 159-490-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 326.6 · 326.6±22.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.70(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
UKRORGSYN-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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