2-Thiophenecarbonitrile,5-methyl- supplier

Name
5-methylthiophene-2-carbonitrile
EINECS
CAS No. 72835-25-7
Article Data18
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₆H₅NS
Boiling Point 219 °C at 760 mmHg
Molecular Weight 123.178
Flash Point 86.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyano-5-methylthiophene;5-Cyano-2-methylthiophene;5-Methylthiophene-2-carbonitrile;NSC 223386;5-methylthiophene-2-carbonitrile;2-Thiophenecarbonitrile, 5-methyl-;
PSA 52.03000
LogP 1.92818

2-Thiophenecarbonitrile,5-methyl- Specification

The 2-Thiophenecarbonitrile,5-methyl-, with the CAS registry number 72835-25-7, has the systematic name and IUPAC name of 5-methylthiophene-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₅NS.

The characteristics of 2-Thiophenecarbonitrile,5-methyl- are as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 52.03 Å²; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 34.08 cm³; (9)Molar Volume: 105.9 cm³; (10)Polarizability: 13.51×10^-24cm³; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.16 g/cm³; (13)Flash Point: 86.3 °C; (14)Enthalpy of Vaporization: 45.54 kJ/mol; (15)Boiling Point: 219 °C at 760 mmHg; (16)Vapour Pressure: 0.122 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1sc(cc1)C
(2)InChI: InChI=1/C6H5NS/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
(3)InChIKey: RBQRZWYCXAXPIN-UHFFFAOYAN

Product Name

5-methylthiophene-2-carbonitrile

2-Thiophenecarbonitrile,5-methyl- Specification

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