4-ethylsulfanyl-4-methylsulfanylhex-1-ene

C9H18S2 — CID 134929668

IUPAC4-ethylsulfanyl-4-methylsulfanylhex-1-ene
SMILESC=CCC(CC)(SC)SCC
InChIInChI=1S/C9H18S2/c1-5-8-9(6-2,10-4)11-7-3/h5H,1,6-8H2,2-4H3
InChIKeyVBRQENXINJHBTN-UHFFFAOYSA-N
MW190.38 g/mol
LogP3.78
Rot. Bonds6

About 4-ethylsulfanyl-4-methylsulfanylhex-1-ene

4-ethylsulfanyl-4-methylsulfanylhex-1-ene (PubChem CID 134929668) has the molecular formula C9H18S2 and a molecular weight of 190.38 g/mol. Its IUPAC name is 4-ethylsulfanyl-4-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name4-ethylsulfanyl-4-methylsulfanylhex-1-ene
PubChem CID134929668
Molecular FormulaC9H18S2
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC Name4-ethylsulfanyl-4-methylsulfanylhex-1-ene
SMILESC=CCC(CC)(SC)SCC
InChIInChI=1S/C9H18S2/c1-5-8-9(6-2,10-4)11-7-3/h5H,1,6-8H2,2-4H3
InChIKeyVBRQENXINJHBTN-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-4-methylsulfanylhex-1-ene?
The IUPAC name of 4-ethylsulfanyl-4-methylsulfanylhex-1-ene (CID 134929668) is 4-ethylsulfanyl-4-methylsulfanylhex-1-ene.
What is the SMILES notation for 4-ethylsulfanyl-4-methylsulfanylhex-1-ene?
The canonical SMILES for 4-ethylsulfanyl-4-methylsulfanylhex-1-ene is C=CCC(CC)(SC)SCC.
What is the InChIKey of 4-ethylsulfanyl-4-methylsulfanylhex-1-ene?
The InChIKey is VBRQENXINJHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S2/c1-5-8-9(6-2,10-4)11-7-3/h5H,1,6-8H2,2-4H3.
What are the key properties of 4-ethylsulfanyl-4-methylsulfanylhex-1-ene?
4-ethylsulfanyl-4-methylsulfanylhex-1-ene has a molecular weight of 190.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-4-methylsulfanylhex-1-ene is sourced from PubChem (CID 134929668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).