4-methylsulfanylpent-1-ene

C6H12S — CID 24974105

IUPAC4-methylsulfanylpent-1-ene
SMILESC=CCC(C)SC
InChIInChI=1S/C6H12S/c1-4-5-6(2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyCPYMDTFICZELKZ-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.31
Rot. Bonds3

About 4-methylsulfanylpent-1-ene

4-methylsulfanylpent-1-ene (PubChem CID 24974105) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 4-methylsulfanylpent-1-ene.

Molecular Properties

Compound Name4-methylsulfanylpent-1-ene
PubChem CID24974105
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name4-methylsulfanylpent-1-ene
SMILESC=CCC(C)SC
InChIInChI=1S/C6H12S/c1-4-5-6(2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyCPYMDTFICZELKZ-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpent-1-ene?
The IUPAC name of 4-methylsulfanylpent-1-ene (CID 24974105) is 4-methylsulfanylpent-1-ene.
What is the SMILES notation for 4-methylsulfanylpent-1-ene?
The canonical SMILES for 4-methylsulfanylpent-1-ene is C=CCC(C)SC.
What is the InChIKey of 4-methylsulfanylpent-1-ene?
The InChIKey is CPYMDTFICZELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-4-5-6(2)7-3/h4,6H,1,5H2,2-3H3.
What are the key properties of 4-methylsulfanylpent-1-ene?
4-methylsulfanylpent-1-ene has a molecular weight of 116.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpent-1-ene is sourced from PubChem (CID 24974105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).