Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzo[b]thiophene-7-carbonitrile |
EINECS | N/A |
CAS No. | 22780-71-8 | Density | 1.28g/cm3 |
PSA | 52.03000 | LogP | 2.77298 |
Solubility | N/A | Melting Point |
67.5 °C |
Formula | C9H5NS | Boiling Point | 312.7 °C at 760 mmHg |
Molecular Weight | 159.2077 | Flash Point | 142.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-benzothiophene-7-carbonitrile;7-CYANO-BENZO[B]THIOPHENE;Benzo[b]thiophene-7-carbonitrile;Benzo[b]thiophene-7-carbonitrile 97%;7-Cyano-1-benzothiophene |
Article Data | 5 |
The Benzo[b]thiophene-7-carbonitrile, with CAS registry number 22780-71-8, has the systematic name of 1-benzothiophene-7-carbonitrile. Besides this, it is also called 7-Cyano-benzo[b]thiophene. And the chemical formula of this chemical is C9H5NS.
Physical properties of Benzo[b]thiophene-7-carbonitrile: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 468.46; (6)ACD/BCF (pH 7.4): 468.46; (7)ACD/KOC (pH 5.5): 2839.7; (8)ACD/KOC (pH 7.4): 2839.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 47.01 cm3; (15)Molar Volume: 124.3 cm3; (16)Polarizability: 18.63×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 142.9 °C; (20)Enthalpy of Vaporization: 55.37 kJ/mol; (21)Boiling Point: 312.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000522 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2ccsc12
(2)InChI: InChI=1/C9H5NS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H
(3)InChIKey: DRNFPCFRKOZEPV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H5NS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H
(5)Std. InChIKey: DRNFPCFRKOZEPV-UHFFFAOYSA-N