-
Name
PHENYLAMINO-THIOPHEN-2-YL-ACETONITRILE
- EINECS
- CAS No. 81994-43-6
- Article Data40
- CAS DataBase
- Density 1.262 g/cm3
- Solubility
- Melting Point 100-102 °C(Solv: ethanol (64-17-5))
- Formula C12H10N2S
- Boiling Point 385.1 °C at 760 mmHg
- Molecular Weight 214.291
- Flash Point 186.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
T
- Synonyms 2-(2-Thienyl)-2-(phenylamino)acetonitrile;
- PSA 64.06000
- LogP 3.49788
2-Thiopheneacetonitrile,a-(phenylamino)- Specification
The 2-Thiopheneacetonitrile,a-(phenylamino)- is an organic compound with the formula C12H10N2S. The systematic name of this chemical is (Phenylamino)(thiophen-2-yl)acetonitrile. With the CAS registry number 81994-43-6, it is also named as Anilino(2-thienyl)acetonitrile. Besides, its molecular weight is 214.29.
The physical properties of 2-Thiopheneacetonitrile,a-(phenylamino)- are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 54.6; (5)ACD/BCF (pH 7.4): 54.6; (6)ACD/KOC (pH 5.5): 609.7; (7)ACD/KOC (pH 7.4): 609.7; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.27 Å2; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 63.28 cm3; (14)Molar Volume: 169.7 cm3; (15)Polarizability: 25.08×10-24 cm3; (16)Surface Tension: 57.9 dyne/cm; (17)Density: 1.262 g/cm3; (18)Flash Point: 186.7 °C; (19)Enthalpy of Vaporization: 63.39 kJ/mol; (20)Boiling Point: 385.1 °C at 760 mmHg; (21)Vapour Pressure: 3.9E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(Nc1ccccc1)c2sccc2
(2)InChI: InChI=1/C12H10N2S/c13-9-11(12-7-4-8-15-12)14-10-5-2-1-3-6-10/h1-8,11,14H
(3)InChIKey: RZQZGSOEWZEYCX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H10N2S/c13-9-11(12-7-4-8-15-12)14-10-5-2-1-3-6-10/h1-8,11,14H
(5)Std. InChIKey: RZQZGSOEWZEYCX-UHFFFAOYSA-N
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