CAS No.40133-08-2,5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40133-08-2
Name:	5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-2-CARBOXYLIC ACID

Formula:	C₁₀H₁₂O₂S
Molecular Weight:	196.27
Synonyms:	5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophene-2-;carboxylic acid;5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid;4,5,6,7,8-pentahydrocyclohepta[1,2-b]thiophene-2-carboxylic acid;
Density:	1.258 g/cm³
Boiling Point:	378.5 °C at 760 mmHg
Flash Point:	182.7 °C
Hazard Symbols:	Xi
PSA:	65.54000
LogP:	2.71520

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Specification

The 4H-Cyclohepta[b]thiophene-2-carboxylicacid, 5,6,7,8-tetrahydro-, with the CAS registry number 40133-08-2, is also known as 5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophene-2-. This chemical's molecular formula is C₁₀H₁₂O₂S and molecular weight is 196.27. What's more, its systematic name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid.

Physical properties of 4H-Cyclohepta[b]thiophene-2-carboxylicacid, 5,6,7,8-tetrahydro- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 13.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 78.63; (8)ACD/KOC (pH 7.4): 3.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 52.96 cm³; (15)Molar Volume: 156 cm³; (16)Polarizability: 20.99×10^-24 cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 66.07 kJ/mol; (21)Boiling Point: 378.5 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c1sc2c(c1)CCCCC2
(2)InChI: InChI=1/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12)
(3)InChIKey: FUUKNDGHOIUHLN-UHFFFAOYAM