16-hydroxy-15-sulfanylhexadecanoic acid

C16H32O3S — CID 123963183

IUPAC16-hydroxy-15-sulfanylhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC(S)CO
InChIInChI=1S/C16H32O3S/c17-14-15(20)12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)19/h15,17,20H,1-14H2,(H,18,19)
InChIKeyJGVHPDBKFVEFEW-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.43
Rot. Bonds15

About 16-hydroxy-15-sulfanylhexadecanoic acid

16-hydroxy-15-sulfanylhexadecanoic acid (PubChem CID 123963183) has the molecular formula C16H32O3S and a molecular weight of 304.50 g/mol. Its IUPAC name is 16-hydroxy-15-sulfanylhexadecanoic acid.

Molecular Properties

Compound Name16-hydroxy-15-sulfanylhexadecanoic acid
PubChem CID123963183
Molecular FormulaC16H32O3S
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name16-hydroxy-15-sulfanylhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC(S)CO
InChIInChI=1S/C16H32O3S/c17-14-15(20)12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)19/h15,17,20H,1-14H2,(H,18,19)
InChIKeyJGVHPDBKFVEFEW-UHFFFAOYSA-N
XLogP4.43
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.43
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'}

Analyze 16-hydroxy-15-sulfanylhexadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-hydroxy-6-sulfanyloctanoic acid
CID 58947895
10-sulfanyloctadecanoic acid
CID 57260678
5,10-bis(sulfanyl)decanoic acid
CID 87537400
18,19-dihydroxynonadecanoic acid
CID 87167042
19,20,21-trihydroxyhenicosanoic acid
CID 54189389
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-15-sulfanylhexadecanoic acid?
The IUPAC name of 16-hydroxy-15-sulfanylhexadecanoic acid (CID 123963183) is 16-hydroxy-15-sulfanylhexadecanoic acid.
What is the SMILES notation for 16-hydroxy-15-sulfanylhexadecanoic acid?
The canonical SMILES for 16-hydroxy-15-sulfanylhexadecanoic acid is O=C(O)CCCCCCCCCCCCCC(S)CO.
What is the InChIKey of 16-hydroxy-15-sulfanylhexadecanoic acid?
The InChIKey is JGVHPDBKFVEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3S/c17-14-15(20)12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)19/h15,17,20H,1-14H2,(H,18,19).
What are the key properties of 16-hydroxy-15-sulfanylhexadecanoic acid?
16-hydroxy-15-sulfanylhexadecanoic acid has a molecular weight of 304.50 g/mol, XLogP of 4.43, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-15-sulfanylhexadecanoic acid is sourced from PubChem (CID 123963183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).