4-hydroxy-5-sulfanylpentanoic acid

C5H10O3S — CID 22119508

IUPAC4-hydroxy-5-sulfanylpentanoic acid
SMILESO=C(O)CCC(O)CS
InChIInChI=1S/C5H10O3S/c6-4(3-9)1-2-5(7)8/h4,6,9H,1-3H2,(H,7,8)
InChIKeyZHRTVCAQZQLFHU-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.14
Rot. Bonds4

About 4-hydroxy-5-sulfanylpentanoic acid

4-hydroxy-5-sulfanylpentanoic acid (PubChem CID 22119508) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 4-hydroxy-5-sulfanylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-sulfanylpentanoic acid
PubChem CID22119508
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name4-hydroxy-5-sulfanylpentanoic acid
SMILESO=C(O)CCC(O)CS
InChIInChI=1S/C5H10O3S/c6-4(3-9)1-2-5(7)8/h4,6,9H,1-3H2,(H,7,8)
InChIKeyZHRTVCAQZQLFHU-UHFFFAOYSA-N
XLogP0.14
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7,10-trihydroxytridecanedioic acid
CID 174508120
5-sulfanyl-4-(sulfanylmethyl)pentanoic acid
CID 57279279
(4S)-4-hydroxyhexanoic acid
CID 14057564
butanoic acid;3-sulfanylpropane-1,2-diol
CID 122611449
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
4,6-dihydroxyoctanoic acid
CID 137380619
4-hydroxyhept-6-ynoic acid
CID 55299360
4-hydroxyoctanoic acid
CID 159216758
4,12-dihydroxydodecanoic acid
CID 90020174
4-hydroxy-6-nitroso-6-oxohexanoic acid
CID 89031584
4-chloro-4-hydroxybutanoic acid
CID 87098344
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-sulfanylpentanoic acid?
The IUPAC name of 4-hydroxy-5-sulfanylpentanoic acid (CID 22119508) is 4-hydroxy-5-sulfanylpentanoic acid.
What is the SMILES notation for 4-hydroxy-5-sulfanylpentanoic acid?
The canonical SMILES for 4-hydroxy-5-sulfanylpentanoic acid is O=C(O)CCC(O)CS.
What is the InChIKey of 4-hydroxy-5-sulfanylpentanoic acid?
The InChIKey is ZHRTVCAQZQLFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-4(3-9)1-2-5(7)8/h4,6,9H,1-3H2,(H,7,8).
What are the key properties of 4-hydroxy-5-sulfanylpentanoic acid?
4-hydroxy-5-sulfanylpentanoic acid has a molecular weight of 150.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-sulfanylpentanoic acid is sourced from PubChem (CID 22119508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).