5-methylsulfanylpent-1-ene

C6H12S — CID 12659798

IUPAC5-methylsulfanylpent-1-ene
SMILESC=CCCCSC
InChIInChI=1S/C6H12S/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3
InChIKeyVLMMKBGQSJLXIH-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.32
Rot. Bonds4

About 5-methylsulfanylpent-1-ene

5-methylsulfanylpent-1-ene (PubChem CID 12659798) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 5-methylsulfanylpent-1-ene.

Molecular Properties

Compound Name5-methylsulfanylpent-1-ene
PubChem CID12659798
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name5-methylsulfanylpent-1-ene
SMILESC=CCCCSC
InChIInChI=1S/C6H12S/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3
InChIKeyVLMMKBGQSJLXIH-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylpent-1-ene?
The IUPAC name of 5-methylsulfanylpent-1-ene (CID 12659798) is 5-methylsulfanylpent-1-ene.
What is the SMILES notation for 5-methylsulfanylpent-1-ene?
The canonical SMILES for 5-methylsulfanylpent-1-ene is C=CCCCSC.
What is the InChIKey of 5-methylsulfanylpent-1-ene?
The InChIKey is VLMMKBGQSJLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3.
What are the key properties of 5-methylsulfanylpent-1-ene?
5-methylsulfanylpent-1-ene has a molecular weight of 116.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpent-1-ene is sourced from PubChem (CID 12659798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).