4-Methyl-3-thiophenamine supplier

Name
3-AMINO-4-METHYLTHIOPHENE
EINECS
CAS No. 23967-97-7
Article Data6
CAS DataBase
Density 1.161g/cm³
Solubility
Melting Point
Formula C₅H₇NS
Boiling Point 246.7 °C at 760 mmHg
Molecular Weight 113.183
Flash Point 103 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-AMINO-4-METHYLTHIOPHENE;3-ThiophenaMine, 4-Methyl-
PSA 54.26000
LogP 2.21990

4-Methyl-3-thiophenamine 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

Product Name

3-AMINO-4-METHYLTHIOPHENE

4-Methyl-3-thiophenamine Specification

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