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Basic Information
CAS No.: 4651-94-9
Name: 2-amino-4,5-dimethyl-thiophene-3-carbonitrile
Article Data: 22
Molecular Structure:
Molecular Structure of 4651-94-9 (2-amino-4,5-dimethyl-thiophene-3-carbonitrile)
Formula: C7H8N2S
Molecular Weight: 152.22
Synonyms: 2-Amino-3-cyano-4,5-dimethylthiophene;2-Amino-4,5-dimethyl-3-thiophenecarbonitrile;NSC 153327;
Density: 1.21 g/cm3
Melting Point: 141-142 °C
Boiling Point: 324.3 °C at 760 mmHg
Flash Point: 149.9 °C
Risk Codes: 36/37/38
Safety: 26-36
PSA: 78.05000
LogP: 2.39998
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  • 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile

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    2-Amino-4,5-dimethyl-thiophene-3-carbonitrile

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    2-Amino-4,5-dimethylthiophene-3-carbonitrile

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  • 2-Amino-4,5-dimethylthiophene-3-carbonitrile

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    2-Amino-4,5-dimethylthiophene-3-carbonitrile

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    2-amino-4,5-dimethylthiophene-3-carbonitrile

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Specification

The 3-Thiophenecarbonitrile, 2-amino-4, 5-dimethyl-, with the CAS registry number of 4651-94-9, is also known as 2-Amino-4, 5-dimethyl-3-thiophenecarbonitrile. This chemical's molecular formula is C7H8N2S and molecular weight is 152.2168. What's more, its IUPAC name is 2-Amino-4, 5-dimethylthiophene-3-carbonitrile.

Physical properties about 3-Thiophenecarbonitrile, 2-amino-4, 5-dimethyl- are: (1)ACD/LogP: 2.00; (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: 1.589; (8)Molar Refractivity: 42.32 cm3; (9)Molar Volume: 125.5 cm3; (10)Surface Tension: 55.2 dyne/cm; (11)Density: 1.21 g/cm3; (12)Flash Point: 149.9 °C; (13)Enthalpy of Vaporization: 56.63 kJ/mol; (14)Boiling Point: 324.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000248 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(c(sc1N)C)C
(2) InChI: InChI=1/C7H8N2S/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
(3) InChIKey: DTDMOFLHHZZNFB-UHFFFAOYAV