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CAS No.: | 4623-55-6 |
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Name: | 2-amino-3-cyano-5-methylthiophene |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H6N2S |
Molecular Weight: | 138.1902 |
Synonyms: | 2-Amino-3-cyano-4-methylthiophene;2-Amino-4-methyl-3-thiophenecarbonitrile;NSC 99325; |
Density: | 1.26 g/cm3 |
Melting Point: | 118-119 °C |
Boiling Point: | 311.4 °C at 760 mmHg |
Flash Point: | 142.1 °C |
PSA: | 78.05000 |
LogP: | 2.09158 |
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The 3-Thiophenecarbonitrile, 2-amino-4-methyl-, with the CAS registry number of 4623-55-6, is also known as 2-Azanyl-4-methyl-thiophene-3-carbonitrile. It belongs to the product category of API Intermediates. This chemical's molecular formula is C6H6N2S and molecular weight is 138.1902. What's more, its IUPAC name is 2-Amino-4-methylthiophene-3-carbonitrile.
Physical properties about 3-Thiophenecarbonitrile, 2-amino-4-methyl- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 55.27 Å2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 37.7 cm3; (9)Molar Volume: 109.4 cm3; (10)Surface Tension: 59.5 dyne/cm; (11)Density: 1.26 g/cm3; (12)Flash Point: 142.1 °C; (13)Enthalpy of Vaporization: 55.23 kJ/mol; (14)Boiling Point: 311.4 °C at 760 mmHg; (15)Vapour Pressure: 0.000565 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(scc1C)N
(2) InChI: InChI=1/C6H6N2S/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
(3) InChIKey: VVLPOLLOKMOHOP-UHFFFAOYAJ