Chemical Properties of Benzp[b]thiophene-3-acetic acid

Benzp[b]thiophene-3-acetic acid

InChI
InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChI Key
VFZQJKXVHYZXMM-UHFFFAOYSA-N
Formula
C10H8O2S
SMILES
O=C(O)Cc1csc2ccccc12
Molecular Weight1
192.24
Other Names
  • Benzo[b]thiophene-3-acetic acid
  • Acetic acid, 3-benzo(b)thienyl-
  • 3-Benzo(b)thienylacetic acid
  • Benzp[b]thiophene-3-acetic acid
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Physical Properties

Property Value Unit Source
ΔvapH° 96.24 kJ/mol Relay (1.0) Calculated Property
IE 7.92 eV Relay (1.0) Calculated Property
log10WS -2.72 Relay (1.0) Calculated Property
logPoct/wat 2.528 Crippen Calculated Property
McVol 136.630 ml/mol McGowan Calculated Property
Pc 4064.22 kPa Relay (1.0-beta) Calculated Property
Tboil 608.10 K Relay (1.0) Calculated Property
Tfus 417.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

5-Chlorobenzo[b]thiophene-3-acetic acid. Thianaphthene-3-acetonitrile. Benzo[b]thiophene-3-ethylamine, alpha-methyl-. Dibenzothiophene, 1,2,3,4-tetrahydro-. 2-Chlorobenzo[b]thiophene-3-acetonitrile. 4-Nonylbenzo[b]thiophene. 5-Hydroxytryptophan, methyl, 3-PFP. 2-(5-methyl-2-furyl)-3-hydroxy-piperidine. 2-(2-furyl)-3-hydroxypiperidine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane.

Find more compounds similar to Benzp[b]thiophene-3-acetic acid.

Sources

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