6aH-cyclopenta[b]thiophene-2-carbonyl chloride

C8H5ClOS — CID 123556012

IUPAC6aH-cyclopenta[b]thiophene-2-carbonyl chloride
SMILESO=C(Cl)C1=CC2=CC=CC2S1
InChIInChI=1S/C8H5ClOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-4,6H
InChIKeyIPSMFZGSNBGUCW-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.25
Rot. Bonds1

About 6aH-cyclopenta[b]thiophene-2-carbonyl chloride

6aH-cyclopenta[b]thiophene-2-carbonyl chloride (PubChem CID 123556012) has the molecular formula C8H5ClOS and a molecular weight of 184.65 g/mol. Its IUPAC name is 6aH-cyclopenta[b]thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name6aH-cyclopenta[b]thiophene-2-carbonyl chloride
PubChem CID123556012
Molecular FormulaC8H5ClOS
Molecular Weight184.65 g/mol
Exact Mass183.97
IUPAC Name6aH-cyclopenta[b]thiophene-2-carbonyl chloride
SMILESO=C(Cl)C1=CC2=CC=CC2S1
InChIInChI=1S/C8H5ClOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-4,6H
InChIKeyIPSMFZGSNBGUCW-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[4.2.0]octa-2,4,7-triene-2,5-dicarbonyl chloride
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cyclooctatetraenecarbonyl chloride
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(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride
CID 177385072
3,3a-dihydro-2H-cyclopenta[b]thiophene-2-carboxamide
CID 66702112
3-chloro-N,7-dimethylcyclohepta-1,3,5-triene-1-carboxamide
CID 123697505
(3S,11S)-2,10-dithiatricyclo[9.5.0.03,9]hexadeca-1(16),4,6,8,12,14-hexaene
CID 135013503
3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene-5-carbonyl chloride
CID 88935569
8-chloro-2-(trifluoromethyl)-8,8a-dihydro-2H-chromene-3-carboxylic acid
CID 70337941
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl chloride
CID 6485363
14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol
CID 90003117
thiophene-3,4-dicarbonyl chloride
CID 14932507
(1S,4S,7R,8R,9S,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-5,6-dicarboxylic acid
CID 124919821

Frequently Asked Questions

What is the IUPAC name of 6aH-cyclopenta[b]thiophene-2-carbonyl chloride?
The IUPAC name of 6aH-cyclopenta[b]thiophene-2-carbonyl chloride (CID 123556012) is 6aH-cyclopenta[b]thiophene-2-carbonyl chloride.
What is the SMILES notation for 6aH-cyclopenta[b]thiophene-2-carbonyl chloride?
The canonical SMILES for 6aH-cyclopenta[b]thiophene-2-carbonyl chloride is O=C(Cl)C1=CC2=CC=CC2S1.
What is the InChIKey of 6aH-cyclopenta[b]thiophene-2-carbonyl chloride?
The InChIKey is IPSMFZGSNBGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h1-4,6H.
What are the key properties of 6aH-cyclopenta[b]thiophene-2-carbonyl chloride?
6aH-cyclopenta[b]thiophene-2-carbonyl chloride has a molecular weight of 184.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-cyclopenta[b]thiophene-2-carbonyl chloride is sourced from PubChem (CID 123556012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).