2-cyclopentylidene-2-sulfanylacetic acid

C7H10O2S — CID 11686555

IUPAC2-cyclopentylidene-2-sulfanylacetic acid
SMILESO=C(O)C(S)=C1CCCC1
InChIInChI=1S/C7H10O2S/c8-7(9)6(10)5-3-1-2-4-5/h10H,1-4H2,(H,8,9)
InChIKeyQCNCEIJWVLBRRQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.83
Rot. Bonds1

About 2-cyclopentylidene-2-sulfanylacetic acid

2-cyclopentylidene-2-sulfanylacetic acid (PubChem CID 11686555) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-cyclopentylidene-2-sulfanylacetic acid.

Molecular Properties

Compound Name2-cyclopentylidene-2-sulfanylacetic acid
PubChem CID11686555
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name2-cyclopentylidene-2-sulfanylacetic acid
SMILESO=C(O)C(S)=C1CCCC1
InChIInChI=1S/C7H10O2S/c8-7(9)6(10)5-3-1-2-4-5/h10H,1-4H2,(H,8,9)
InChIKeyQCNCEIJWVLBRRQ-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-sulfanylacetic acid?
The IUPAC name of 2-cyclopentylidene-2-sulfanylacetic acid (CID 11686555) is 2-cyclopentylidene-2-sulfanylacetic acid.
What is the SMILES notation for 2-cyclopentylidene-2-sulfanylacetic acid?
The canonical SMILES for 2-cyclopentylidene-2-sulfanylacetic acid is O=C(O)C(S)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-2-sulfanylacetic acid?
The InChIKey is QCNCEIJWVLBRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c8-7(9)6(10)5-3-1-2-4-5/h10H,1-4H2,(H,8,9).
What are the key properties of 2-cyclopentylidene-2-sulfanylacetic acid?
2-cyclopentylidene-2-sulfanylacetic acid has a molecular weight of 158.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-sulfanylacetic acid is sourced from PubChem (CID 11686555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).