8-hydroxy-6-sulfanyloctanoic acid

C8H16O3S — CID 58947895

IUPAC8-hydroxy-6-sulfanyloctanoic acid
SMILESO=C(O)CCCCC(S)CCO
InChIInChI=1S/C8H16O3S/c9-6-5-7(12)3-1-2-4-8(10)11/h7,9,12H,1-6H2,(H,10,11)
InChIKeyHEWOAJYAACUECT-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.31
Rot. Bonds7

About 8-hydroxy-6-sulfanyloctanoic acid

8-hydroxy-6-sulfanyloctanoic acid (PubChem CID 58947895) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 8-hydroxy-6-sulfanyloctanoic acid.

Molecular Properties

Compound Name8-hydroxy-6-sulfanyloctanoic acid
PubChem CID58947895
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name8-hydroxy-6-sulfanyloctanoic acid
SMILESO=C(O)CCCCC(S)CCO
InChIInChI=1S/C8H16O3S/c9-6-5-7(12)3-1-2-4-8(10)11/h7,9,12H,1-6H2,(H,10,11)
InChIKeyHEWOAJYAACUECT-UHFFFAOYSA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

16-hydroxy-15-sulfanylhexadecanoic acid
CID 123963183
10-sulfanyloctadecanoic acid
CID 57260678
5,10-bis(sulfanyl)decanoic acid
CID 87537400
6-sulfanyl-9-sulfanylidenedodecanoic acid
CID 57083574
1,6-bis(sulfanyl)octane-1,8-diol
CID 139735028
4,7-bis(sulfanyl)heptanoic acid
CID 87537007
4-sulfanyldecanoic acid
CID 57100118
lithium;hydride;5-hydroxypentanoic acid
CID 173343870
ethane-1,2-diol;heptanedioic acid
CID 130422873
5-hydroxypentanoic acid
CID 25945
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-sulfanyloctanoic acid?
The IUPAC name of 8-hydroxy-6-sulfanyloctanoic acid (CID 58947895) is 8-hydroxy-6-sulfanyloctanoic acid.
What is the SMILES notation for 8-hydroxy-6-sulfanyloctanoic acid?
The canonical SMILES for 8-hydroxy-6-sulfanyloctanoic acid is O=C(O)CCCCC(S)CCO.
What is the InChIKey of 8-hydroxy-6-sulfanyloctanoic acid?
The InChIKey is HEWOAJYAACUECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c9-6-5-7(12)3-1-2-4-8(10)11/h7,9,12H,1-6H2,(H,10,11).
What are the key properties of 8-hydroxy-6-sulfanyloctanoic acid?
8-hydroxy-6-sulfanyloctanoic acid has a molecular weight of 192.28 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-sulfanyloctanoic acid is sourced from PubChem (CID 58947895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).