8-heptadecan-8-ylsulfanylheptadecane

C34H70S — CID 54218677

IUPAC8-heptadecan-8-ylsulfanylheptadecane
SMILESCCCCCCCCCC(CCCCCCC)SC(CCCCCCC)CCCCCCCCC
InChIInChI=1S/C34H70S/c1-5-9-13-17-19-23-27-31-33(29-25-21-15-11-7-3)35-34(30-26-22-16-12-8-4)32-28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3
InChIKeyQAZNVIFRXSVZBJ-UHFFFAOYSA-N
MW511.00 g/mol
LogP13.46
Rot. Bonds30

About 8-heptadecan-8-ylsulfanylheptadecane

8-heptadecan-8-ylsulfanylheptadecane (PubChem CID 54218677) has the molecular formula C34H70S and a molecular weight of 511.00 g/mol. Its IUPAC name is 8-heptadecan-8-ylsulfanylheptadecane.

Molecular Properties

Compound Name8-heptadecan-8-ylsulfanylheptadecane
PubChem CID54218677
Molecular FormulaC34H70S
Molecular Weight511.00 g/mol
Exact Mass510.52
IUPAC Name8-heptadecan-8-ylsulfanylheptadecane
SMILESCCCCCCCCCC(CCCCCCC)SC(CCCCCCC)CCCCCCCCC
InChIInChI=1S/C34H70S/c1-5-9-13-17-19-23-27-31-33(29-25-21-15-11-7-3)35-34(30-26-22-16-12-8-4)32-28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3
InChIKeyQAZNVIFRXSVZBJ-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.00
LogP ≤ 513.46
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

3-nonan-3-ylsulfanylnonane
CID 54313022
3-(1-hydroxydecan-3-ylsulfanyl)decan-1-ol
CID 54165456
3-octan-3-ylsulfanyloctane
CID 15742914
7-(disulfanyl)tetracosane
CID 175109513
6-butylsulfanyldodecane
CID 137401964
1,2-bis(methylsulfanyl)pentacosane
CID 528999
1,2-bis(methylsulfanyl)octane
CID 54304137
nonadecane;hydrochloride
CID 172821128
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
icosane;tetrahydrochloride
CID 143212018
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209

Frequently Asked Questions

What is the IUPAC name of 8-heptadecan-8-ylsulfanylheptadecane?
The IUPAC name of 8-heptadecan-8-ylsulfanylheptadecane (CID 54218677) is 8-heptadecan-8-ylsulfanylheptadecane.
What is the SMILES notation for 8-heptadecan-8-ylsulfanylheptadecane?
The canonical SMILES for 8-heptadecan-8-ylsulfanylheptadecane is CCCCCCCCCC(CCCCCCC)SC(CCCCCCC)CCCCCCCCC.
What is the InChIKey of 8-heptadecan-8-ylsulfanylheptadecane?
The InChIKey is QAZNVIFRXSVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70S/c1-5-9-13-17-19-23-27-31-33(29-25-21-15-11-7-3)35-34(30-26-22-16-12-8-4)32-28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3.
What are the key properties of 8-heptadecan-8-ylsulfanylheptadecane?
8-heptadecan-8-ylsulfanylheptadecane has a molecular weight of 511.00 g/mol, XLogP of 13.46, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptadecan-8-ylsulfanylheptadecane is sourced from PubChem (CID 54218677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).