6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride

C8H5ClO2S — CID 18915019

IUPAC6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride
SMILESO=C1CC(C(=O)Cl)c2ccsc21
InChIInChI=1S/C8H5ClO2S/c9-8(11)5-3-6(10)7-4(5)1-2-12-7/h1-2,5H,3H2
InChIKeyRZFFTLFTOQZKRR-UHFFFAOYSA-N
MW200.65 g/mol
LogP2.18
Rot. Bonds1

About 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride

6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride (PubChem CID 18915019) has the molecular formula C8H5ClO2S and a molecular weight of 200.65 g/mol. Its IUPAC name is 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride.

Molecular Properties

Compound Name6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride
PubChem CID18915019
Molecular FormulaC8H5ClO2S
Molecular Weight200.65 g/mol
Exact Mass199.97
IUPAC Name6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride
SMILESO=C1CC(C(=O)Cl)c2ccsc21
InChIInChI=1S/C8H5ClO2S/c9-8(11)5-3-6(10)7-4(5)1-2-12-7/h1-2,5H,3H2
InChIKeyRZFFTLFTOQZKRR-UHFFFAOYSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride?
The IUPAC name of 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride (CID 18915019) is 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride.
What is the SMILES notation for 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride?
The canonical SMILES for 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride is O=C1CC(C(=O)Cl)c2ccsc21.
What is the InChIKey of 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride?
The InChIKey is RZFFTLFTOQZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2S/c9-8(11)5-3-6(10)7-4(5)1-2-12-7/h1-2,5H,3H2.
What are the key properties of 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride?
6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride has a molecular weight of 200.65 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4,5-dihydrocyclopenta[b]thiophene-4-carbonyl chloride is sourced from PubChem (CID 18915019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).