Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzo[b]thiophene-7-carbonitrile

Related Products

Hot Products

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 Molecular Structure of 22780-71-8 (7-CYANO-BENZO[B]THIOPHENE) 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

Benzo[b]thiophene-7-carbonitrile Specification

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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 22780-71-8