3-methylsulfanylpentane

C6H14S — CID 23563984

IUPAC3-methylsulfanylpentane
SMILESCCC(CC)SC
InChIInChI=1S/C6H14S/c1-4-6(5-2)7-3/h6H,4-5H2,1-3H3
InChIKeyZQOHJVSSVAWXQZ-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.54
Rot. Bonds3

About 3-methylsulfanylpentane

3-methylsulfanylpentane (PubChem CID 23563984) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is 3-methylsulfanylpentane.

Molecular Properties

Compound Name3-methylsulfanylpentane
PubChem CID23563984
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Name3-methylsulfanylpentane
SMILESCCC(CC)SC
InChIInChI=1S/C6H14S/c1-4-6(5-2)7-3/h6H,4-5H2,1-3H3
InChIKeyZQOHJVSSVAWXQZ-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpentane?
The IUPAC name of 3-methylsulfanylpentane (CID 23563984) is 3-methylsulfanylpentane.
What is the SMILES notation for 3-methylsulfanylpentane?
The canonical SMILES for 3-methylsulfanylpentane is CCC(CC)SC.
What is the InChIKey of 3-methylsulfanylpentane?
The InChIKey is ZQOHJVSSVAWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-4-6(5-2)7-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfanylpentane?
3-methylsulfanylpentane has a molecular weight of 118.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpentane is sourced from PubChem (CID 23563984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).