4-methylidene-1-methylsulfanylhexane

C8H16S — CID 149314764

IUPAC4-methylidene-1-methylsulfanylhexane
SMILESC=C(CC)CCCSC
InChIInChI=1S/C8H16S/c1-4-8(2)6-5-7-9-3/h2,4-7H2,1,3H3
InChIKeyXZHFIQMBRKKHCC-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.10
Rot. Bonds5

About 4-methylidene-1-methylsulfanylhexane

4-methylidene-1-methylsulfanylhexane (PubChem CID 149314764) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 4-methylidene-1-methylsulfanylhexane.

Molecular Properties

Compound Name4-methylidene-1-methylsulfanylhexane
PubChem CID149314764
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name4-methylidene-1-methylsulfanylhexane
SMILESC=C(CC)CCCSC
InChIInChI=1S/C8H16S/c1-4-8(2)6-5-7-9-3/h2,4-7H2,1,3H3
InChIKeyXZHFIQMBRKKHCC-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.10
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 4-methylidene-1-methylsulfanylhexane?
The IUPAC name of 4-methylidene-1-methylsulfanylhexane (CID 149314764) is 4-methylidene-1-methylsulfanylhexane.
What is the SMILES notation for 4-methylidene-1-methylsulfanylhexane?
The canonical SMILES for 4-methylidene-1-methylsulfanylhexane is C=C(CC)CCCSC.
What is the InChIKey of 4-methylidene-1-methylsulfanylhexane?
The InChIKey is XZHFIQMBRKKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-4-8(2)6-5-7-9-3/h2,4-7H2,1,3H3.
What are the key properties of 4-methylidene-1-methylsulfanylhexane?
4-methylidene-1-methylsulfanylhexane has a molecular weight of 144.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-methylsulfanylhexane is sourced from PubChem (CID 149314764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).