Name: 2-Amino-4,5-dimethylthiophene-3-carboxylic acid
SKU: 55502-96-0

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Basic Information

Molecular Structure:
CAS No.:	55502-96-0
Name:	2-Amino-4,5-dimethylthiophene-3-carboxylic acid
Article Data:	2

Formula:	C₇H₉NO₂S
Molecular Weight:	171.22
Synonyms:	2-Amino-4,5-dimethylthiophene-3-carboxylicacid;
Density:	1.355 g/cm³
Boiling Point:	337.9 °C at 760 mmHg
Flash Point:	158.1 °C
PSA:	91.56000
LogP:	2.22650

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Specification

The 2-Amino-4,5-dimethylthiophene-3-carboxylic acid with the cas number 55502-96-0 is also called 3-Thiophenecarboxylicacid, 2-amino-4,5-dimethyl-. Its molecular formula is C₇H₉NO₂S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 18.09; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 220.88; (8)ACD/KOC (pH 7.4): 5.38; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 45.45 cm³; (15)Molar Volume: 126.2 cm³; (16)Polarizability: 18.01×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Enthalpy of Vaporization: 61.34 kJ/mol ; (19)Vapour Pressure: 3.98×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(c(sc1N)C)C
(2)InChI: InChI=1/C7H9NO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h8H2,1-2H3,(H,9,10)
(3)InChIKey: VYNRDZHHFONHMH-UHFFFAOYAY