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CAS No.: | 14080-51-4 |
---|---|
Name: | 2-AMINO-THIOPHENE-3-CARBOXYLIC ACID AMIDE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C5H6N2OS |
Molecular Weight: | 142.181 |
Synonyms: | 2-Amino-3-carbamoylthiophene;2-Aminothiophene-3-carboxamide; |
Density: | 1.423 g/cm3 |
Melting Point: | 153-155 °C |
Boiling Point: | 321.77 °C at 760 mmHg |
Flash Point: | 148.402 °C |
Appearance: | light brown solid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26-36/37 |
PSA: | 97.35000 |
LogP: | 1.71070 |
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This chemical is called 3-Thiophenecarboxamide, 2-amino-, and its systematic name is 2-aminothiophene-3-carboxamide. With the molecular formula of C5H6N2OS, its molecular weight is 142.18. The CAS registry number of this chemical is 14080-51-4.
Other characteristics of the 3-Thiophenecarboxamide, 2-amino- can be summarised as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.06; (8)ond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 51.79 Å2; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 37.8 cm3; (13)Molar Volume: 99.8 cm3; (14)Polarizability: 14.98×10-24cm3; (15)Surface Tension: 71.7 dyne/cm; (16)Density: 1.423 g/cm3; (17)Flash Point: 148.4 °C; (18)Enthalpy of Vaporization: 56.36 kJ/mol; (19)Boiling Point: 321.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000292 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)c1c(scc1)N
2.InChI: InChI=1/C5H6N2OS/c6-4(8)3-1-2-9-5(3)7/h1-2H,7H2,(H2,6,8)
3.InChIKey: WHZIZZOTISTHCT-UHFFFAOYAD