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| CAS No.: | 92057-12-0 |
|---|---|
| Name: | 3-(2-THIENYL)ANILINE |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H9NS |
| Molecular Weight: | 175.254 |
| Synonyms: | Aniline,m-2-thienyl- (6CI,7CI);2-(3-Aminophenyl)thiophene;3-(2-Thienyl)aniline;3-(Thiophen-2-yl)aniline;[3-(Thiophen-2-yl)phenyl]amine; |
| Density: | 1.196 g/cm3 |
| Melting Point: | 246 °C |
| Boiling Point: | 341.6 °C at 760 mmHg |
| Flash Point: | 160.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 54.26000 |
| LogP: | 3.57850 |
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- Total:10 Page 1 of 1 1
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Specification
This chemical is called Benzenamine, 3-(2-thienyl)-, and its systematic name is 3-thiophen-2-ylaniline. With the molecular formula of C10H9NS, its molecular weight is 175.25. The CAS registry number of this chemical is 92057-12-0.
Other characteristics of the Benzenamine, 3-(2-thienyl)- can be summarised as followings: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 27.61; (6)ACD/BCF (pH 7.4): 28.66; (7)ACD/KOC (pH 5.5): 370.23; (8)ACD/KOC (pH 7.4): 384.3; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 53.46 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 21.19×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 160.4 °C; (20)Enthalpy of Vaporization: 58.52 kJ/mol; (21)Boiling Point: 341.6 °C at 760 mmHg; (22)Vapour Pressure: 7.98E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: s2c(c1cc(ccc1)N)ccc2
2.InChI: InChI=1/C10H9NS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
3.InChIKey: YUTPSMJOCLLMBK-UHFFFAOYAZ