Thiophene, 3-ethenyl- supplier

Name
3-VINYLTHIOPHENE
EINECS
CAS No. 13679-64-6
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₆H₆S
Boiling Point 151.7 °C at 760 mmHg
Molecular Weight 110.18
Flash Point 29.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiophene,3-vinyl- (6CI,7CI,8CI);3-Vinylthiophene;
PSA 28.24000
LogP 2.39110

Thiophene, 3-ethenyl- Specification

The Thiophene, 3-ethenyl-, with CAS registry number 13679-64-6, has the systematic name of 3-ethenylthiophene. Besides this, it is also called 3-Vinylthiophene. Its molecular weight is 110.1768. And the chemical formula of this chemical is C₆H₆S.

Physical properties of Thiophene, 3-ethenyl-: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.37; (6)ACD/BCF (pH 7.4): 46.37; (7)ACD/KOC (pH 5.5): 542.35; (8)ACD/KOC (pH 7.4): 542.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 35.56 cm³; (15)Molar Volume: 104.8 cm³; (16)Polarizability: 14.09×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 29.2 °C; (20)Enthalpy of Vaporization: 37.25 kJ/mol; (21)Boiling Point: 151.7 °C at 760 mmHg; (22)Vapour Pressure: 4.62 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc(\C=C)c1
(2)InChI: InChI=1/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
(3)InChIKey: BOJMHHBWYPDQQH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
(5)Std. InChIKey: BOJMHHBWYPDQQH-UHFFFAOYSA-N

Product Name

3-VINYLTHIOPHENE

Thiophene, 3-ethenyl- Specification

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