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Thiophene,2-(3-methylphenyl)- (85553-43-1)

Identification
Name:Thiophene,2-(3-methylphenyl)-
Synonyms:2-(3-Methylphenyl)thiophene;2-(3-Tolyl)thiophene;
CAS:85553-43-1
Molecular Formula: C11H10S
Molecular Weight: 174.26
InChI: InChI=1/C11H10S/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3
Molecular Structure: (C11H10S) 2-(3-Methylphenyl)thiophene;2-(3-Tolyl)thiophene;
Properties
Density:1.085 g/cm3
Refractive index:1.588
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

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