Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Amino-4,5-dimethylthiophene-3-carbonitrile |
EINECS | N/A |
CAS No. | 4651-94-9 | Density | 1.21 g/cm3 |
PSA | 78.05000 | LogP | 2.39998 |
Solubility | N/A | Melting Point |
141-142 °C |
Formula | C7H8N2S | Boiling Point | 324.3 °C at 760 mmHg |
Molecular Weight | 152.22 | Flash Point | 149.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-3-cyano-4,5-dimethylthiophene;2-Amino-4,5-dimethyl-3-thiophenecarbonitrile;NSC 153327; |
Article Data | 22 |
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