3-methylsulfanylhex-3-ene

C7H14S — CID 141088508

IUPAC3-methylsulfanylhex-3-ene
SMILESCCC=C(CC)SC
InChIInChI=1S/C7H14S/c1-4-6-7(5-2)8-3/h6H,4-5H2,1-3H3
InChIKeyPPWROHYRENWVPC-UHFFFAOYSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds3

About 3-methylsulfanylhex-3-ene

3-methylsulfanylhex-3-ene (PubChem CID 141088508) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 3-methylsulfanylhex-3-ene.

Molecular Properties

Compound Name3-methylsulfanylhex-3-ene
PubChem CID141088508
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name3-methylsulfanylhex-3-ene
SMILESCCC=C(CC)SC
InChIInChI=1S/C7H14S/c1-4-6-7(5-2)8-3/h6H,4-5H2,1-3H3
InChIKeyPPWROHYRENWVPC-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylhex-3-ene?
The IUPAC name of 3-methylsulfanylhex-3-ene (CID 141088508) is 3-methylsulfanylhex-3-ene.
What is the SMILES notation for 3-methylsulfanylhex-3-ene?
The canonical SMILES for 3-methylsulfanylhex-3-ene is CCC=C(CC)SC.
What is the InChIKey of 3-methylsulfanylhex-3-ene?
The InChIKey is PPWROHYRENWVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-6-7(5-2)8-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfanylhex-3-ene?
3-methylsulfanylhex-3-ene has a molecular weight of 130.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylhex-3-ene is sourced from PubChem (CID 141088508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).