CAS No.61320-65-8,2-AMINO-3-CYANO-4-METHYL-5-CARBMETHOXY THIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61320-65-8
Name:	2-AMINO-3-CYANO-4-METHYL-5-CARBMETHOXY THIOPHENE

Formula:	C₈H₈N₂O₂S
Molecular Weight:	196.23
Synonyms:	2-Amino-3-cyano-4-methyl-5-carbmethoxythiophene;Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate;5-Amino-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester;
Density:	1.34 g/cm³
Boiling Point:	378.8 °C at 760 mmHg
Flash Point:	182.9 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22
Safety:	36/37
PSA:	104.35000
LogP:	1.87818

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Specification

The 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester, with the CAS registry number 61320-65-8, is also known as 2-Amino-3-cyano-4-methyl-5-carbmethoxythiophene. This chemical's molecular formula is C₈H₈N₂O₂S and molecular weight is 196.23. What's more, its systematic name is methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate.

Physical properties of 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.06; (6)ACD/BCF (pH 7.4): 12.06; (7)ACD/KOC (pH 5.5): 206.88; (8)ACD/KOC (pH 7.4): 206.88; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.57 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.81 cm³; (15)Molar Volume: 145.5 cm³; (16)Polarizability: 19.35×10^-24cm³; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 182.9 °C; (20)Enthalpy of Vaporization: 62.67 kJ/mol; (21)Boiling Point: 378.8 °C at 760 mmHg; (22)Vapour Pressure: 6.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=C1C#N)N)C(=O)OC
(2)InChI: InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3
(3)InChIKey: PDDIXJQTRLVRCG-UHFFFAOYSA-N