3-methyl-3-methylsulfanylhexane

C8H18S — CID 91501828

IUPAC3-methyl-3-methylsulfanylhexane
SMILESCCCC(C)(CC)SC
InChIInChI=1S/C8H18S/c1-5-7-8(3,6-2)9-4/h5-7H2,1-4H3
InChIKeyYXYUPZBZGRWNPM-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.32
Rot. Bonds4

About 3-methyl-3-methylsulfanylhexane

3-methyl-3-methylsulfanylhexane (PubChem CID 91501828) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 3-methyl-3-methylsulfanylhexane.

Molecular Properties

Compound Name3-methyl-3-methylsulfanylhexane
PubChem CID91501828
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name3-methyl-3-methylsulfanylhexane
SMILESCCCC(C)(CC)SC
InChIInChI=1S/C8H18S/c1-5-7-8(3,6-2)9-4/h5-7H2,1-4H3
InChIKeyYXYUPZBZGRWNPM-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylhexan-3-ylsulfanyl)pyridine
CID 130456725
3,3-dimethylhexane
CID 11233
2,2-bis(methylsulfanyl)butane
CID 90995794
CID 22075923
CID 22075923
2-methylsulfanylbutane-2-thiol
CID 89333098
3-bromo-3-methylhexane
CID 19851237
CID 123373948
CID 123373948
bis(2,2-dimethylpentane);methane
CID 159859974
2-methyl-2-methylsulfanyltetradecane
CID 91802493
3,3,4-trimethylheptan-4-amine
CID 139427507
1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane
CID 87130255
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfanylhexane?
The IUPAC name of 3-methyl-3-methylsulfanylhexane (CID 91501828) is 3-methyl-3-methylsulfanylhexane.
What is the SMILES notation for 3-methyl-3-methylsulfanylhexane?
The canonical SMILES for 3-methyl-3-methylsulfanylhexane is CCCC(C)(CC)SC.
What is the InChIKey of 3-methyl-3-methylsulfanylhexane?
The InChIKey is YXYUPZBZGRWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-5-7-8(3,6-2)9-4/h5-7H2,1-4H3.
What are the key properties of 3-methyl-3-methylsulfanylhexane?
3-methyl-3-methylsulfanylhexane has a molecular weight of 146.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfanylhexane is sourced from PubChem (CID 91501828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).