2-pentadecylsulfanylethanol

C17H36OS — CID 13120338

IUPAC2-pentadecylsulfanylethanol
SMILESCCCCCCCCCCCCCCCSCCO
InChIInChI=1S/C17H36OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3
InChIKeySKZXYVNSKIXTCP-UHFFFAOYSA-N
MW288.54 g/mol
LogP5.80
Rot. Bonds16

About 2-pentadecylsulfanylethanol

2-pentadecylsulfanylethanol (PubChem CID 13120338) has the molecular formula C17H36OS and a molecular weight of 288.54 g/mol. Its IUPAC name is 2-pentadecylsulfanylethanol.

Molecular Properties

Compound Name2-pentadecylsulfanylethanol
PubChem CID13120338
Molecular FormulaC17H36OS
Molecular Weight288.54 g/mol
Exact Mass288.25
IUPAC Name2-pentadecylsulfanylethanol
SMILESCCCCCCCCCCCCCCCSCCO
InChIInChI=1S/C17H36OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3
InChIKeySKZXYVNSKIXTCP-UHFFFAOYSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pentadecylsulfanylethanol 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-pentylsulfanyloctan-1-ol
CID 86658436
1-dodecylsulfanylicosane
CID 87077505
1-octadecylsulfanyloctacosane
CID 87077538
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550

Frequently Asked Questions

What is the IUPAC name of 2-pentadecylsulfanylethanol?
The IUPAC name of 2-pentadecylsulfanylethanol (CID 13120338) is 2-pentadecylsulfanylethanol.
What is the SMILES notation for 2-pentadecylsulfanylethanol?
The canonical SMILES for 2-pentadecylsulfanylethanol is CCCCCCCCCCCCCCCSCCO.
What is the InChIKey of 2-pentadecylsulfanylethanol?
The InChIKey is SKZXYVNSKIXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3.
What are the key properties of 2-pentadecylsulfanylethanol?
2-pentadecylsulfanylethanol has a molecular weight of 288.54 g/mol, XLogP of 5.80, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecylsulfanylethanol is sourced from PubChem (CID 13120338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).