5-sulfanylpentanoic acid

C5H10O2S — CID 10909614

IUPAC5-sulfanylpentanoic acid
SMILESO=C(O)CCCCS
InChIInChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)
InChIKeyGCIZMJUHGHGRNW-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.17
Rot. Bonds4

About 5-sulfanylpentanoic acid

5-sulfanylpentanoic acid (PubChem CID 10909614) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 5-sulfanylpentanoic acid.

Molecular Properties

Compound Name5-sulfanylpentanoic acid
PubChem CID10909614
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name5-sulfanylpentanoic acid
SMILESO=C(O)CCCCS
InChIInChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)
InChIKeyGCIZMJUHGHGRNW-UHFFFAOYSA-N
XLogP1.17
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanylpentanoic acid?
The IUPAC name of 5-sulfanylpentanoic acid (CID 10909614) is 5-sulfanylpentanoic acid.
What is the SMILES notation for 5-sulfanylpentanoic acid?
The canonical SMILES for 5-sulfanylpentanoic acid is O=C(O)CCCCS.
What is the InChIKey of 5-sulfanylpentanoic acid?
The InChIKey is GCIZMJUHGHGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7).
What are the key properties of 5-sulfanylpentanoic acid?
5-sulfanylpentanoic acid has a molecular weight of 134.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylpentanoic acid is sourced from PubChem (CID 10909614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).