3-(2-Thiophen-2-ylacetylamino)benzoic acid supplier

Name
3-(2-THIOPHEN-2-YL-ACETYLAMINO)-BENZOIC ACID
EINECS
CAS No. 206983-05-3
Density
Solubility
Melting Point
Formula C₁₃H₁₁NO₃S
Boiling Point 546.5 °C at 760 mmHg
Molecular Weight 261.3
Flash Point 284.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, 3-[(2-thienylacetyl)amino]- (9CI);3-(2-Thiophen-2-ylacetylamino)benzoic acid;
PSA 94.64000
LogP 2.70050

3-(2-Thiophen-2-ylacetylamino)benzoic acid Specification

The CAS register number of 3-(2-Thiophen-2-ylacetylamino)benzoic acid is 206983-05-3. It also can be called as Benzoic acid,3-[[2-(2-thienyl)acetyl]amino]- and the IUPAC name about this chemical is 3-[(2-thiophen-2-ylacetyl)amino]benzoate. The molecular formula about this chemical is C₁₃H₁₁NO₃S and the molecular weight is 261.30.

Physical properties about 3-(2-Thiophen-2-ylacetylamino)benzoic acid are: (1)ACD/LogP: 2.53; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 85.85Å²; (6)Flash Point: 284.3 °C; (7)Enthalpy of Vaporization: 86.89 kJ/mol; (8)Boiling Point: 546.5 °C at 760 mmHg; (9)Vapour Pressure: 8.87E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(C([O-])=O)ccc1)Cc2sccc2
(2)InChI: InChI=1/C13H11NO3S/c15-12(8-11-5-2-6-18-11)14-10-4-1-3-9(7-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)/p-1
(3)InChIKey: QERCSVAAGLVTFH-REWHXWOFAM
(4)Std. InChI: InChI=1S/C13H11NO3S/c15-12(8-11-5-2-6-18-11)14-10-4-1-3-9(7-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)/p-1
(5)Std. InChIKey: QERCSVAAGLVTFH-UHFFFAOYSA-M

Product Name

3-(2-THIOPHEN-2-YL-ACETYLAMINO)-BENZOIC ACID

3-(2-Thiophen-2-ylacetylamino)benzoic acid Specification

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