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| CAS No.: | 138564-58-6 |
|---|---|
| Name: | 2-Amino-5-methyl-3-thiophenecarbonitrile |
| Article Data: | 23 |
| Molecular Structure: | |
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|
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| Formula: | C6H6N2S |
| Molecular Weight: | 138.193 |
| Synonyms: | 2-Amino-5-methyl-3-thiophenecarbonitrile; |
| EINECS: | 604-082-4 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 101-103 °C |
| Boiling Point: | 318.5 °C at 760 mmHg |
| Flash Point: | 146.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22 |
| Safety: | 22-36/37/39 |
| PSA: | 78.05000 |
| LogP: | 2.09158 |
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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