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CAS No.: | 63458-32-2 |
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Name: | 1,3,6,8-Tetrahydro-benzo[1,2-c:3,4-c']dithiophene |
Molecular Structure: | |
Formula: | C10H10S2 |
Molecular Weight: | 194.32 |
Synonyms: | 1,3,6,8-TETRAHYDRO-BENZO[1,2-C:3,4-C]DITHIOPHENE |
Density: | 1.325 g/cm3 |
Melting Point: | 115-117 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 360.8 °C at 760 mmHg |
Flash Point: | 187.7 °C |
PSA: | 50.60000 |
LogP: | 3.18020 |
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The 1,3,6,8-Tetrahydro-benzo[1,2-c:3,4-c']dithiophene has the CAS registry number 63458-32-2. This chemical's molecular formula is C10H10S2 and molecular weight is 194.32. What's more, its systematic name is 1,3,6,8-Tetrahydrobenzo[1,2-c:3,4-c']bisthiophene.
Physical properties of 1,3,6,8-Tetrahydro-benzo[1,2-c:3,4-c']dithiophene are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 665.17; (6)ACD/BCF (pH 7.4): 665.17; (7)ACD/KOC (pH 5.5): 3649.69; (8)ACD/KOC (pH 7.4): 3649.69; (9)Polar Surface Area: 50.6 Å2; (10)Index of Refraction: 1.716; (11)Molar Refractivity: 57.7 cm3; (12)Molar Volume: 146.5 cm3; (13)Polarizability: 22.87×10-24cm3; (14)Surface Tension: 61.6 dyne/cm; (15)Density: 1.325 g/cm3; (16)Flash Point: 187.7 °C; (17)Enthalpy of Vaporization: 58.27 kJ/mol; (18)Boiling Point: 360.8 °C at 760 mmHg; (19)Vapour Pressure: 4.49E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S2Cc1ccc3c(c1C2)CSC3
(2)InChI: InChI=1S/C10H10S2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2H,3-6H2
(3)InChIKey: YMFPFQCPHKDFHI-UHFFFAOYSA-N