4-(methylsulfanylmethylidene)hex-1-ene

C8H14S — CID 123447440

IUPAC4-(methylsulfanylmethylidene)hex-1-ene
SMILESC=CCC(=CSC)CC
InChIInChI=1S/C8H14S/c1-4-6-8(5-2)7-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyJNRVSZWKHJVAPP-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.22
Rot. Bonds4

About 4-(methylsulfanylmethylidene)hex-1-ene

4-(methylsulfanylmethylidene)hex-1-ene (PubChem CID 123447440) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 4-(methylsulfanylmethylidene)hex-1-ene.

Molecular Properties

Compound Name4-(methylsulfanylmethylidene)hex-1-ene
PubChem CID123447440
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name4-(methylsulfanylmethylidene)hex-1-ene
SMILESC=CCC(=CSC)CC
InChIInChI=1S/C8H14S/c1-4-6-8(5-2)7-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyJNRVSZWKHJVAPP-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.22
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-(methylsulfanylmethylidene)hex-1-ene?
The IUPAC name of 4-(methylsulfanylmethylidene)hex-1-ene (CID 123447440) is 4-(methylsulfanylmethylidene)hex-1-ene.
What is the SMILES notation for 4-(methylsulfanylmethylidene)hex-1-ene?
The canonical SMILES for 4-(methylsulfanylmethylidene)hex-1-ene is C=CCC(=CSC)CC.
What is the InChIKey of 4-(methylsulfanylmethylidene)hex-1-ene?
The InChIKey is JNRVSZWKHJVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-4-6-8(5-2)7-9-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4-(methylsulfanylmethylidene)hex-1-ene?
4-(methylsulfanylmethylidene)hex-1-ene has a molecular weight of 142.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethylidene)hex-1-ene is sourced from PubChem (CID 123447440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).