1-sulfanylpentadecan-2-ol

C15H32OS — CID 19983401

IUPAC1-sulfanylpentadecan-2-ol
SMILESCCCCCCCCCCCCCC(O)CS
InChIInChI=1S/C15H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(16)14-17/h15-17H,2-14H2,1H3
InChIKeyCASVTMZHRRABLR-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.98
Rot. Bonds13

About 1-sulfanylpentadecan-2-ol

1-sulfanylpentadecan-2-ol (PubChem CID 19983401) has the molecular formula C15H32OS and a molecular weight of 260.49 g/mol. Its IUPAC name is 1-sulfanylpentadecan-2-ol.

Molecular Properties

Compound Name1-sulfanylpentadecan-2-ol
PubChem CID19983401
Molecular FormulaC15H32OS
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name1-sulfanylpentadecan-2-ol
SMILESCCCCCCCCCCCCCC(O)CS
InChIInChI=1S/C15H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(16)14-17/h15-17H,2-14H2,1H3
InChIKeyCASVTMZHRRABLR-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.98
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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Related Compounds

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpentadecan-2-ol?
The IUPAC name of 1-sulfanylpentadecan-2-ol (CID 19983401) is 1-sulfanylpentadecan-2-ol.
What is the SMILES notation for 1-sulfanylpentadecan-2-ol?
The canonical SMILES for 1-sulfanylpentadecan-2-ol is CCCCCCCCCCCCCC(O)CS.
What is the InChIKey of 1-sulfanylpentadecan-2-ol?
The InChIKey is CASVTMZHRRABLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(16)14-17/h15-17H,2-14H2,1H3.
What are the key properties of 1-sulfanylpentadecan-2-ol?
1-sulfanylpentadecan-2-ol has a molecular weight of 260.49 g/mol, XLogP of 4.98, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpentadecan-2-ol is sourced from PubChem (CID 19983401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).