4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro- supplier

Name
5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 40133-06-0
Article Data2
CAS DataBase
Density 1.395 g/cm³
Solubility
Melting Point 200-202 °C
Formula C₈H₈O₂S
Boiling Point 347.7 °C at 760 mmHg
Molecular Weight 168.21
Flash Point 164.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4,5,6-trihydrocyclopenta[2,1-b]thiophene-2-carboxylic acid;5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;5,6-Dihydro-4 H -cyclopenta[ b ]thiophene-2-carbox;5,6-Dihydrocyclopenta[b]thiophene-2-carboxylic acid;ylic acid;
PSA 65.54000
LogP 1.93500

4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro- Specification

The 4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro-, with the CAS registry number 40133-06-0, is also known as 5,6-Dihydrocyclopenta[b]thiophene-2-carboxylic acid. This chemical's molecular formula is C₈H₈O₂S and molecular weight is 168.21. What's more, its systematic name is 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid.

Physical properties of 4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/BCF (pH 5.5): 1.62; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.13; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54 Å²; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 43.74 cm³; (14)Molar Volume: 120.5 cm³; (15)Polarizability: 17.34×10^-24 cm³; (16)Surface Tension: 62.4 dyne/cm; (17)Density: 1.395 g/cm³; (18)Flash Point: 164.1 °C; (19)Enthalpy of Vaporization: 62.48 kJ/mol; (20)Boiling Point: 347.7 °C at 760 mmHg; (21)Vapour Pressure: 1.99E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c1sc2c(c1)CCC2
(2)InChI: InChI=1/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
(3)InChIKey: XSFUFVBXPLWNBK-UHFFFAOYAD

Product Name

5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-2-CARBOXYLIC ACID

4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro- Specification

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