3-Thiophenepropanenitrile,b-oxo- supplier

Name
3-oxo-3-(3-thienyl)propanenitrile
EINECS
CAS No. 69879-30-7
Article Data5
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 91-93 °C
Formula C₇H₅NOS
Boiling Point 313.4 °C at 760 mmHg
Molecular Weight 151.1857
Flash Point 143.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Oxo-3-(3-thienyl)propanenitrile;3-Oxo-3-(thiophen-3-yl)propanenitrile;3-Oxo-3-thiophen-3-ylpropionitrile;3-Thenoylacetonitrile;b-Oxo-3-thiophenepropionitrile;
PSA 69.10000
LogP 1.84448

3-Thiophenepropanenitrile,b-oxo- Specification

The 3-Thiophenepropanenitrile,b-oxo-, with the CAS registry number 69879-30-7, is also known as 3-Oxo-3-(3-thienyl)propanenitrile. This chemical's molecular formula is C₇H₅NOS and molecular weight is 151.1857. What's more, its systematic name is called 3-Oxo-3-thiophen-3-ylpropanenitrile.

Physical properties about 3-Thiophenepropanenitrile,b-oxo- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 2.16; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 60.28; (8)ACD/KOC (pH 7.4): 36.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.1 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 39.21 cm³; (15)Molar Volume: 120.3 cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.256 g/cm³; (18)Flash Point: 143.3 °C; (19Enthalpy of Vaporization: 55.45 kJ/mol; (20)Boiling Point: 313.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000498 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccsc1)CC#N
(2) InChI: InChI=1/C7H5NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5H,1H2
(3) InChIKey: IWPZODDPZNLDAM-UHFFFAOYAM

Product Name

3-oxo-3-(3-thienyl)propanenitrile

3-Thiophenepropanenitrile,b-oxo- Specification

Related Products

Hot Products