Benzo[1,2-c:3,4-c':5,6-c'']trithiophene supplier

Name
BENZO[1,2-C:3,4C':5,6C'']TRITHIOPHENE
EINECS
CAS No. 67466-80-2
Article Data5
CAS DataBase
Density 1.537 g/cm³
Solubility
Melting Point 236-238 °C(Solv: chloroform (67-66-3))
Formula C₁₂H₆S₃
Boiling Point 482.4 °C at 760 mmHg
Molecular Weight 246.378
Flash Point 185.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BENZO[1,2-C:3,4C:5,6C]TRITHIOPHENE;:5,6c¥]trithiophene;Benzo[1,2-c:3,4c¥
PSA 84.72000
LogP 5.33070

Benzo[1,2-c:3,4-c':5,6-c'']trithiophene Specification

This chemical's CAS registry number is 67466-80-2. Its molecular formula is C₁₂H₆S₃ and molecular weight is 246.371. What's more, both the product name and systematic name are the same which is called Benzo[1,2-c:3,4-c':5,6-c'']tristhiophene.

Physical properties about Benzo[1,2-c:3,4-c':5,6-c'']trithiophene are: (1)ACD/LogP: 4.94; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.94; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3371.04; (6)ACD/BCF (pH 7.4): 3371.04; (7)ACD/KOC (pH 5.5): 11661.86; (8)ACD/KOC (pH 7.4): 11661.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 84.72 Å²; (13)Index of Refraction: 1.906; (14)Molar Refractivity: 74.93 cm³; (15)Molar Volume: 160.2 cm³; (16)Polarizability: 29.7×10^-24 cm³; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.537 g/cm³; (19)Flash Point: 185.8 °C; (20)Enthalpy of Vaporization: 71.88 kJ/mol; (21)Boiling Point: 482.4 °C at 760 mmHg; (22)Vapour Pressure: 5.38E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1cc4c(c1)c2c(csc2)c3cscc34
(2) InChI: InChI=1/C12H6S3/c1-7-8(2-13-1)10-4-15-6-12(10)11-5-14-3-9(7)11/h1-6H
(3) InChIKey: INZUTJPYADZZEL-UHFFFAOYAI

Product Name

BENZO[1,2-C:3,4C':5,6C'']TRITHIOPHENE

Benzo[1,2-c:3,4-c':5,6-c'']trithiophene Specification

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