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Name |
2-Thiophenecarboxamide,3-amino-5-phenyl- |
EINECS | N/A |
CAS No. | 122375-70-6 | Density | 1.321 g/cm3 |
PSA | 97.35000 | LogP | 3.37770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10N2OS | Boiling Point | 426.4 °C at 760 mmHg |
Molecular Weight | 218.279 | Flash Point | 211.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes |
Xi:Irritant; |
Molecular Structure | Hazard Symbols | Xi,T | |
Synonyms |
3-Amino-5-phenylthiophene-2-carboxamide;2-Thiophenecarboxamide, 3-amino-5-phenyl-; |
Article Data | 4 |
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