Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzo[b]thiophene-5-carboxylicacid |
EINECS | N/A |
CAS No. | 2060-64-2 | Density | 1.419 g/cm3 |
PSA | 65.54000 | LogP | 2.59950 |
Solubility | N/A | Melting Point |
211℃ |
Formula | C9H6O2S | Boiling Point | 376.2 °C at 760 mmHg |
Molecular Weight | 178.211 | Flash Point | 181.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes |
Xi:Irritant; |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
1-Benzothiophene-5-carboxylic acid; |
Article Data | 1 |
The CAS registry number of Benzo[b]thiophene-5-carboxylicacid is 2060-64-2. This chemical's molecular formula is C9H6O2S and molecular weight is 178.2077. What's more, its systematic name is called 1-Benzothiophene-5-carboxylic acid.
Physical properties about Benzo[b]thiophene-5-carboxylicacid are: (1)ACD/LogP: 4.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 29.82; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 160.43; (8)ACD/KOC (pH 7.4): 4.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 49.4 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 19.58×10-24 cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.419 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 65.81 kJ/mol; (21)Boiling Point: 376.2 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc1c(scc1)cc2
(2) InChI: InChI=1/C9H6O2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
(3) InChIKey: SNBYTKLWZRHESA-UHFFFAOYAS