4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde

C12H10O2S — CID 134929295

IUPAC4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde
SMILESO=Cc1c2c(c3ccsc3c1O)CCC2
InChIInChI=1S/C12H10O2S/c13-6-10-8-3-1-2-7(8)9-4-5-15-12(9)11(10)14/h4-6,14H,1-3H2
InChIKeyFKHWAXCRIPCKAT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.91
Rot. Bonds1

About 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde

4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde (PubChem CID 134929295) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde
PubChem CID134929295
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde
SMILESO=Cc1c2c(c3ccsc3c1O)CCC2
InChIInChI=1S/C12H10O2S/c13-6-10-8-3-1-2-7(8)9-4-5-15-12(9)11(10)14/h4-6,14H,1-3H2
InChIKeyFKHWAXCRIPCKAT-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130866354
6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
CID 131000502
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
5-(chloromethyl)-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130898631
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
4-methyl-6-nitro-1-benzothiophen-7-ol
CID 130866337
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
4-bromo-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130839267
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
5-(chloromethyl)-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130884429
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde?
The IUPAC name of 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde (CID 134929295) is 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde.
What is the SMILES notation for 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde?
The canonical SMILES for 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde is O=Cc1c2c(c3ccsc3c1O)CCC2.
What is the InChIKey of 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde?
The InChIKey is FKHWAXCRIPCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-6-10-8-3-1-2-7(8)9-4-5-15-12(9)11(10)14/h4-6,14H,1-3H2.
What are the key properties of 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde?
4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde is sourced from PubChem (CID 134929295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).