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51486-04-5

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Basic Information
CAS No.: 51486-04-5
Name: 2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXAMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 51486-04-5 (2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXAMIDE)
Formula: C7H10N2OS
Molecular Weight: 170.235
Synonyms: 2-Amino-4,5-dimethylthiophene-3-carboxamide;
Density: 1.285 g/cm3
Boiling Point: 252.1 °C at 760 mmHg
Flash Point: 106.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 97.35000
LogP: 2.32750
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Specification

The 2-Amino-4,5-dimethyl-3-thiophenecarboxamide, with the CAS registry number 51486-04-5, is also known as 2-Amino-4,5-dimethyl-3-thiophenecarboxamide. This chemical's molecular formula is C7H10N2OS and molecular weight is 170.23. What's more, both its IUPAC name and systematic name are the same which is called 2-Amino-4,5-dimethylthiophene-3-carboxamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about 2-Amino-4,5-dimethyl-3-thiophenecarboxamide are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.27; (6)ACD/BCF (pH 7.4): 4.27; (7)ACD/KOC (pH 5.5): 98.34; (8)ACD/KOC (pH 7.4): 98.34; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 47.45 cm3; (15)Molar Volume: 132.4 cm3; (16)Surface Tension: 58.3 dyne/cm; (17)Density: 1.285 g/cm3; (18)Flash Point: 106.3 °C; (19)Enthalpy of Vaporization: 48.95 kJ/mol; (20)Boiling Point: 252.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0197 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(c(sc1N)C)C)N
(2) InChI: InChI=1/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10)
(3) InChIKey: ZKXSEMXZKAQARN-UHFFFAOYAR