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| CAS No.: | 23967-97-7 |
|---|---|
| Name: | 3-AMINO-4-METHYLTHIOPHENE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C5H7NS |
| Molecular Weight: | 113.183 |
| Synonyms: | 3-AMINO-4-METHYLTHIOPHENE;3-ThiophenaMine, 4-Methyl- |
| Density: | 1.161g/cm3 |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 103 °C |
| PSA: | 54.26000 |
| LogP: | 2.21990 |
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- Total:28 Page 1 of 1 1
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Specification
The 4-Methyl-3-thiophenamine with cas registry number of 23967-97-7, has the systematic name of 4-methylthiophen-3-amine.
Physical properties about this chemical are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 3.86; (7)ACD/KOC (pH 5.5): 87.89; (8)ACD/KOC (pH 7.4): 91.46; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 33.69 cm3; (15)Molar Volume: 97.4 cm3; (16)Polarizability: 13.35×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 48.38 kJ/mol; (19)Vapour Pressure: 0.0268 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1cc(c(N)c1)C;
(2)InChI: InChI=1/C5H7NS/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3;
(3)InChIKey: HFOFPDGUBCVRIQ-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C5H7NS/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3;
(5)Std. InChIKey: HFOFPDGUBCVRIQ-UHFFFAOYSA-N