2,2':5',2''-Terthiophene,3'-methyl- (113386-76-8)

The 3'-Methyl-2,2':5',2''-terthiophene with its cas register number is 113386-76-8. It also can be called as 2,2':5',2''-Terthiophene,3'-methyl- and the Systematic name about this chemical is 5-methyl-2,2':5',2''-terthiophene.

Physical properties about 3'-Methyl-2,2':5',2''-terthiophene are: (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.02; (4)ACD/LogD (pH 7.4): 6.02; (5)ACD/BCF (pH 5.5): 22140.44; (6)ACD/BCF (pH 7.4): 22140.44; (7)ACD/KOC (pH 5.5): 44861.13; (8)ACD/KOC (pH 7.4): 44861.13; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 84.72Ų; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 75.41 cm³; (13)Molar Volume: 204.7 cm³; (14)Polarizability: 29.89x10^-24cm³; (15)Surface Tension: 48.8 dyne/cm; (16)Enthalpy of Vaporization: 58.66 kJ/mol; (17)Vapour Pressure: 3.53E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: s1c(ccc1c2sc(cc2)c3sccc3)C
(2)InChI: InChI=1/C13H10S3/c1-9-4-5-12(15-9)13-7-6-11(16-13)10-3-2-8-14-10/h2-8H,1H3
(3)InChIKey: VSQXFWPDQQZSOA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H10S3/c1-9-4-5-12(15-9)13-7-6-11(16-13)10-3-2-8-14-10/h2-8H,1H3
(5)Std. InChIKey: VSQXFWPDQQZSOA-UHFFFAOYSA-N