1-propylsulfanylhexadecane

C19H40S — CID 19914808

IUPAC1-propylsulfanylhexadecane
SMILESCCCCCCCCCCCCCCCCSCCC
InChIInChI=1S/C19H40S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h3-19H2,1-2H3
InChIKeySXEFXQNKTFLJCX-UHFFFAOYSA-N
MW300.60 g/mol
LogP7.61
Rot. Bonds17

About 1-propylsulfanylhexadecane

1-propylsulfanylhexadecane (PubChem CID 19914808) has the molecular formula C19H40S and a molecular weight of 300.60 g/mol. Its IUPAC name is 1-propylsulfanylhexadecane.

Molecular Properties

Compound Name1-propylsulfanylhexadecane
PubChem CID19914808
Molecular FormulaC19H40S
Molecular Weight300.60 g/mol
Exact Mass300.29
IUPAC Name1-propylsulfanylhexadecane
SMILESCCCCCCCCCCCCCCCCSCCC
InChIInChI=1S/C19H40S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h3-19H2,1-2H3
InChIKeySXEFXQNKTFLJCX-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 57.61
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-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylhexadecane?
The IUPAC name of 1-propylsulfanylhexadecane (CID 19914808) is 1-propylsulfanylhexadecane.
What is the SMILES notation for 1-propylsulfanylhexadecane?
The canonical SMILES for 1-propylsulfanylhexadecane is CCCCCCCCCCCCCCCCSCCC.
What is the InChIKey of 1-propylsulfanylhexadecane?
The InChIKey is SXEFXQNKTFLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h3-19H2,1-2H3.
What are the key properties of 1-propylsulfanylhexadecane?
1-propylsulfanylhexadecane has a molecular weight of 300.60 g/mol, XLogP of 7.61, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylhexadecane is sourced from PubChem (CID 19914808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).