Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-[2-(2-Thienyl)ethyl]benzoic acid |
EINECS | 216-595-7 |
CAS No. | 1622-54-4 | Density | 1.255 g/cm3 |
PSA | 65.54000 | LogP | 3.23150 |
Solubility | N/A | Melting Point |
110-111 °C |
Formula | C13H12O2S | Boiling Point | 361.8 °C at 760 mmHg |
Molecular Weight | 232.303 | Flash Point | 172.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoicacid, o-[2-(2-thienyl)ethyl]- (7CI,8CI);2-[2-(2-thienyl)ethyl]benzoic acid; |
Article Data | 3 |
The cas register number of 2-[2-(2-Thienyl)ethyl]benzoic acid is 1622-54-4. It also can be called as Benzoicacid, 2-[2-(2-thienyl)ethyl]- and the IUPAC Name about this chemical is 2-(2-thiophen-2-ylethyl)benzoic acid.
Physical properties about 2-[2-(2-Thienyl)ethyl]benzoic acid are: (1)ACD/LogP: 4.05; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5): 26.5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 142.79; (7)ACD/KOC (pH 7.4): 4.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 54.54Å2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 65.6 cm3; (14)Molar Volume: 184.9 cm3; (15)Polarizability: 26x10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 64.11 kJ/mol; (18)Boiling Point: 361.8 °C at 760 mmHg; (19)Vapour Pressure: 7.24E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1)CCc2sccc2
(2)InChI: InChI=1/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)
(3)InChIKey: BYSDXOIAAYZTBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)
(5)Std. InChIKey: BYSDXOIAAYZTBJ-UHFFFAOYSA-N