3-methyl-1-methylsulfanylcyclohexene

C8H14S — CID 13056373

IUPAC3-methyl-1-methylsulfanylcyclohexene
SMILESCSC1=CC(C)CCC1
InChIInChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h6-7H,3-5H2,1-2H3
InChIKeyKVTHALBRUBTNHU-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds1

About 3-methyl-1-methylsulfanylcyclohexene

3-methyl-1-methylsulfanylcyclohexene (PubChem CID 13056373) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylcyclohexene.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylcyclohexene
PubChem CID13056373
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-methyl-1-methylsulfanylcyclohexene
SMILESCSC1=CC(C)CCC1
InChIInChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h6-7H,3-5H2,1-2H3
InChIKeyKVTHALBRUBTNHU-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylthio)cyclohexene
CID 5325878
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexene
CID 134474834
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135
3-Fluoro-6-(methylsulfanylmethyl)cyclohexene
CID 163608875
5-(Difluoromethyl)-3-methyl-5-methylsulfanylcyclohexene
CID 173055684
2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559
2-Cyclohex-3-en-1-ylthiirane
CID 12363491
5,5-Dimethyl-1-(methylthio)-1-cyclohexene-3-thione
CID 12447336
[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane
CID 134988985
4-Methylene-5-methylthiomethylcyclohexene
CID 548446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylcyclohexene?
The IUPAC name of 3-methyl-1-methylsulfanylcyclohexene (CID 13056373) is 3-methyl-1-methylsulfanylcyclohexene.
What is the SMILES notation for 3-methyl-1-methylsulfanylcyclohexene?
The canonical SMILES for 3-methyl-1-methylsulfanylcyclohexene is CSC1=CC(C)CCC1.
What is the InChIKey of 3-methyl-1-methylsulfanylcyclohexene?
The InChIKey is KVTHALBRUBTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-methylsulfanylcyclohexene?
3-methyl-1-methylsulfanylcyclohexene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylcyclohexene is sourced from PubChem (CID 13056373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).