1-hexylsulfanyloctadecane

C24H50S — CID 21424485

IUPAC1-hexylsulfanyloctadecane
SMILESCCCCCCCCCCCCCCCCCCSCCCCCC
InChIInChI=1S/C24H50S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25-23-21-8-6-4-2/h3-24H2,1-2H3
InChIKeyJATURYXSEADQGF-UHFFFAOYSA-N
MW370.73 g/mol
LogP9.56
Rot. Bonds22

About 1-hexylsulfanyloctadecane

1-hexylsulfanyloctadecane (PubChem CID 21424485) has the molecular formula C24H50S and a molecular weight of 370.73 g/mol. Its IUPAC name is 1-hexylsulfanyloctadecane.

Molecular Properties

Compound Name1-hexylsulfanyloctadecane
PubChem CID21424485
Molecular FormulaC24H50S
Molecular Weight370.73 g/mol
Exact Mass370.36
IUPAC Name1-hexylsulfanyloctadecane
SMILESCCCCCCCCCCCCCCCCCCSCCCCCC
InChIInChI=1S/C24H50S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25-23-21-8-6-4-2/h3-24H2,1-2H3
InChIKeyJATURYXSEADQGF-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-propylsulfanylhexadecane
CID 19914808

Frequently Asked Questions

What is the IUPAC name of 1-hexylsulfanyloctadecane?
The IUPAC name of 1-hexylsulfanyloctadecane (CID 21424485) is 1-hexylsulfanyloctadecane.
What is the SMILES notation for 1-hexylsulfanyloctadecane?
The canonical SMILES for 1-hexylsulfanyloctadecane is CCCCCCCCCCCCCCCCCCSCCCCCC.
What is the InChIKey of 1-hexylsulfanyloctadecane?
The InChIKey is JATURYXSEADQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25-23-21-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1-hexylsulfanyloctadecane?
1-hexylsulfanyloctadecane has a molecular weight of 370.73 g/mol, XLogP of 9.56, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylsulfanyloctadecane is sourced from PubChem (CID 21424485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).