Basic information
- CAS
54818-88-1- Standard SMILES
CC(=O)Nc1ccc2sc3ccccc3c2c1- InChIKey
FBHBFAPHAYSMFP-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613515
Names & identifiers
- Preferred name
- 2-Acetamidodibenzothiophene
- IUPAC
- N-dibenzothiophen-2-ylacetamide
- English name
- N-(Dibenzothiophen-2-yl)acetamide
- Molecular formula
- C14H11NOS
- Molecular weight
- 241.31
Names & synonyms
2-AcetamidodibenzothiopheneRefChem:462773659-780-12-Acetylaminodibenzothiophene54818-88-1N-dibenzothiophen-2-ylacetamiden-(dibenzo[b,d]thiophen-2-yl)acetamideN-2-DibenzothienylacetamideAcetamide, N-2-dibenzothienyl-BRN 0192545N-(dibenzothiophen-2-yl)acetamide4-18-00-07187 (Beilstein Handbook Reference)
Show more names
SCHEMBL5106815DTXSID90970162FBHBFAPHAYSMFP-UHFFFAOYSA-NAKOS024338583DB-320532N-(Dibenzo[b,d]thiophen-2-yl)ethanimidic acid
Database identifiers
- CAS
54818-88-1- PubChem CID
- 108627
- DTXSID
DTXSID90970162- EC Number
- 659-780-1
- Nikkaji
- J74.858G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Density
- 1.1915 · 1.1915 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
4 records
Compound notes
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