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Name |
Benzo[1,2-c:3,4-c':5,6-c'']trithiophene |
EINECS | N/A |
CAS No. | 67466-80-2 | Density | 1.537 g/cm3 |
PSA | 84.72000 | LogP | 5.33070 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
BENZO[1,2-C:3,4C:5,6C]TRITHIOPHENE;:5,6c¥]trithiophene;Benzo[1,2-c:3,4c¥ |
Article Data | 5 |
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