2-Amino-5-methylthiopene-3-carbonitrile supplier

Name
2-Amino-5-methyl-3-thiophenecarbonitrile
EINECS 604-082-4
CAS No. 138564-58-6
Article Data23
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 101-103 °C
Formula C₆H₆N₂S
Boiling Point 318.5 °C at 760 mmHg
Molecular Weight 138.193
Flash Point 146.4 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-5-methyl-3-thiophenecarbonitrile;
PSA 78.05000
LogP 2.09158

2-Amino-5-methylthiopene-3-carbonitrile Specification

The 2-Amino-5-methylthiopene-3-carbonitrile is an organic compound with the formula C₆H₆N₂S. The IUPAC name of this chemical is 2-amino-5-methylthiophene-3-carbonitrile. With the CAS registry number , it is also named as 3-Thiophenecarbonitrile, 2-amino-5-methyl-. The product's categories are Nitrile; Thiophene & Benzothiophene; Amines; (Intermediate of olanzapine).

Physical properties about 2-Amino-5-methylthiopene-3-carbonitrile are: (1)ACD/LogP: 1.54 ; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 55.27 Å²; (6)Index of Refraction: 1.605; (7)Molar Refractivity: 37.7 cm³; (8)Molar Volume: 109.4 cm³; (9)Polarizability: 14.94×10^-24cm³; (10)Surface Tension: 59.5 dyne/cm; (11)Density: 1.26 g/cm³; (12)Flash Point: 146.4 °C; (13)Enthalpy of Vaporization: 56 kJ/mol; (14)Boiling Point: 318.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000359 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(sc1N)C
(2)InChI: InChI=1/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
(3)InChIKey: YGXADLPRHBRTPG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
(5)Std. InChIKey: YGXADLPRHBRTPG-UHFFFAOYSA-N

Product Name

2-Amino-5-methyl-3-thiophenecarbonitrile

2-Amino-5-methylthiopene-3-carbonitrile Specification

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