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122375-70-6

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Basic Information
CAS No.: 122375-70-6
Name: 3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 122375-70-6 (3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXAMIDE)
Formula: C11H10N2OS
Molecular Weight: 218.279
Synonyms: 3-Amino-5-phenylthiophene-2-carboxamide;2-Thiophenecarboxamide, 3-amino-5-phenyl-;
Density: 1.321 g/cm3
Boiling Point: 426.4 °C at 760 mmHg
Flash Point: 211.7 °C
Hazard Symbols: Xi,T
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 45
PSA: 97.35000
LogP: 3.37770
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Specification

The 2-Thiophenecarboxamide,3-amino-5-phenyl-, with the CAS registry number 122375-70-6, has the systematic name of 3-amino-5-phenylthiophene-2-carboxamide. It is a kind of oirritant chemical, and the molecular formula of the chemical is C11H10N2OS.

The characteristics of 2-Thiophenecarboxamide,3-amino-5-phenyl- are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.74; (6)ACD/BCF (pH 7.4): 23.75; (7)ACD/KOC (pH 5.5): 335.8; (8)ACD/KOC (pH 7.4): 336.03; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.79 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 62.39 cm3; (15)Molar Volume: 165.1 cm3; (16)Polarizability: 24.73×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 211.7 °C; (20)Enthalpy of Vaporization: 68.13 kJ/mol; (21)Boiling Point: 426.4 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c2sc(c1ccccc1)cc2N)N
(2)InChI: InChI=1/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)
(3)InChIKey: DYRYDYQWWQHRQE-UHFFFAOYAQ