1-sulfanylhexadecan-1-ol

C16H34OS — CID 57253011

IUPAC1-sulfanylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)S
InChIInChI=1S/C16H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-18H,2-15H2,1H3
InChIKeyRFPMFARSLJLIJC-UHFFFAOYSA-N
MW274.51 g/mol
LogP5.72
Rot. Bonds14

About 1-sulfanylhexadecan-1-ol

1-sulfanylhexadecan-1-ol (PubChem CID 57253011) has the molecular formula C16H34OS and a molecular weight of 274.51 g/mol. Its IUPAC name is 1-sulfanylhexadecan-1-ol.

Molecular Properties

Compound Name1-sulfanylhexadecan-1-ol
PubChem CID57253011
Molecular FormulaC16H34OS
Molecular Weight274.51 g/mol
Exact Mass274.23
IUPAC Name1-sulfanylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)S
InChIInChI=1S/C16H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-18H,2-15H2,1H3
InChIKeyRFPMFARSLJLIJC-UHFFFAOYSA-N
XLogP5.72
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.51
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-sulfanylhexadecan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylhexadecan-1-ol?
The IUPAC name of 1-sulfanylhexadecan-1-ol (CID 57253011) is 1-sulfanylhexadecan-1-ol.
What is the SMILES notation for 1-sulfanylhexadecan-1-ol?
The canonical SMILES for 1-sulfanylhexadecan-1-ol is CCCCCCCCCCCCCCCC(O)S.
What is the InChIKey of 1-sulfanylhexadecan-1-ol?
The InChIKey is RFPMFARSLJLIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-18H,2-15H2,1H3.
What are the key properties of 1-sulfanylhexadecan-1-ol?
1-sulfanylhexadecan-1-ol has a molecular weight of 274.51 g/mol, XLogP of 5.72, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylhexadecan-1-ol is sourced from PubChem (CID 57253011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).