CAS No.27921-48-8,3-BENZYLTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27921-48-8
Name:	3-BENZYLTHIOPHENE
Article Data:	35

Formula:	C₁₁H₁₀S
Molecular Weight:	174.266
Synonyms:	Thiophene,3-benzyl- (6CI,7CI,8CI);3-Benzylthiophene;3-benzylthiophene;thiophene, 3-(phenylmethyl)-;3-benzylthiophene;
Density:	1.101 g/cm³
Boiling Point:	262.603 °C at 760 mmHg
Flash Point:	81.703 °C
PSA:	28.24000
LogP:	3.33890

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Specification

The Thiophene,3-(phenylmethyl)-, with the CAS registry number 27921-48-8, has the systematic name of 3-benzylthiophene. It belongs to the product category of Thiophenes. And the molecular formula of the chemical is C₁₁H₁₀S.

The characteristics of Thiophene,3-(phenylmethyl)- are as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 528; (6)ACD/BCF (pH 7.4): 528; (7)ACD/KOC (pH 5.5): 3094; (8)ACD/KOC (pH 7.4): 3094; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 53.951 cm³; (15)Molar Volume: 158.315 cm³; (16)Polarizability: 21.388×10^-24cm³; (17)Surface Tension: 41.361 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 81.703 °C; (20)Enthalpy of Vaporization: 48.021 kJ/mol; (21)Boiling Point: 262.603 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: s1ccc(c1)Cc2ccccc2
(2)InChI: InChI=1/C11H10S/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-7,9H,8H2
(3)InChIKey: QNIZTJWJJFGIDS-UHFFFAOYAT