2-(3-Methylphenyl)thiophene supplier

Name
2-(3-Methylphenyl)thiophene
EINECS
CAS No. 85553-43-1
Article Data14
CAS DataBase
Density 1.085 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀S
Boiling Point 264 °C at 760 mmHg
Molecular Weight 174.266
Flash Point 82.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Methylphenyl)thiophene;2-(3-Tolyl)thiophene;
PSA 28.24000
LogP 3.72350

2-(3-Methylphenyl)thiophene Specification

The 2-(3-Methylphenyl)thiophene, with CAS registry number of 85553-43-1, belongs to the following product categories: API intermediates. It has the systematic name of 2-(3-methylphenyl)thiophene. And it is also named thiophene, 2-(3-methylphenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 983.42; (6)ACD/BCF (pH 7.4): 983.42; (7)ACD/KOC (pH 5.5): 4828.41; (8)ACD/KOC (pH 7.4): 4828.41; (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: 1.588; (14)Molar Refractivity: 54.05 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 21.42×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Enthalpy of Vaporization: 48.16 kJ/mol; (19)Vapour Pressure: 0.0163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s2c(c1cc(ccc1)C)ccc2
(2)InChI: InChI=1/C11H10S/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3
(3)InChIKey: SMKMXVCNNASZEB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H10S/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3
(5)Std. InChIKey: SMKMXVCNNASZEB-UHFFFAOYSA-N

Product Name

2-(3-Methylphenyl)thiophene

2-(3-Methylphenyl)thiophene Specification

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