2-methylsulfanylhex-1-ene

C7H14S — CID 11137197

IUPAC2-methylsulfanylhex-1-ene
SMILESC=C(CCCC)SC
InChIInChI=1S/C7H14S/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyFMHMHYQBTAEDPX-UHFFFAOYSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds4

About 2-methylsulfanylhex-1-ene

2-methylsulfanylhex-1-ene (PubChem CID 11137197) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name2-methylsulfanylhex-1-ene
PubChem CID11137197
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methylsulfanylhex-1-ene
SMILESC=C(CCCC)SC
InChIInChI=1S/C7H14S/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyFMHMHYQBTAEDPX-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 2-methylsulfanylhex-1-ene?
The IUPAC name of 2-methylsulfanylhex-1-ene (CID 11137197) is 2-methylsulfanylhex-1-ene.
What is the SMILES notation for 2-methylsulfanylhex-1-ene?
The canonical SMILES for 2-methylsulfanylhex-1-ene is C=C(CCCC)SC.
What is the InChIKey of 2-methylsulfanylhex-1-ene?
The InChIKey is FMHMHYQBTAEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3.
What are the key properties of 2-methylsulfanylhex-1-ene?
2-methylsulfanylhex-1-ene has a molecular weight of 130.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylhex-1-ene is sourced from PubChem (CID 11137197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).