4-methylsulfanylpent-2-ene

C6H12S — CID 534914

IUPAC4-methylsulfanylpent-2-ene
SMILESCC=CC(C)SC
InChIInChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3
InChIKeyJQGXRGOLGYEZNV-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.31
Rot. Bonds2

About 4-methylsulfanylpent-2-ene

4-methylsulfanylpent-2-ene (PubChem CID 534914) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 4-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name4-methylsulfanylpent-2-ene
PubChem CID534914
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name4-methylsulfanylpent-2-ene
SMILESCC=CC(C)SC
InChIInChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3
InChIKeyJQGXRGOLGYEZNV-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
5-Methyl-2,3-dihydrothiophene
CID 559083
1-Buten-1-yl methyl sulfide
CID 519416
trans-1-(Methylthio)-2-butene
CID 5364390
3,6-Dihydro-2H-thiopyran
CID 567880
2-methyl-(2H)-thiapyran
CID 527054
2,5-Dimethyl-2,5-dihydrothiophene
CID 293717
4-(Methylsulfanyl)but-1-ene
CID 548387
2,5-Dihydro-2-methylthiophen
CID 13115594
(E)-1-methylsulfanylhept-2-ene
CID 13215828
1-(Methylthio)-1-butene, (1Z)-
CID 5368102
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpent-2-ene?
The IUPAC name of 4-methylsulfanylpent-2-ene (CID 534914) is 4-methylsulfanylpent-2-ene.
What is the SMILES notation for 4-methylsulfanylpent-2-ene?
The canonical SMILES for 4-methylsulfanylpent-2-ene is CC=CC(C)SC.
What is the InChIKey of 4-methylsulfanylpent-2-ene?
The InChIKey is JQGXRGOLGYEZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3.
What are the key properties of 4-methylsulfanylpent-2-ene?
4-methylsulfanylpent-2-ene has a molecular weight of 116.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpent-2-ene is sourced from PubChem (CID 534914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).