2-methylsulfanylethylidenecyclohexane

C9H16S — CID 14529198

IUPAC2-methylsulfanylethylidenecyclohexane
SMILESCSCC=C1CCCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7H,2-6,8H2,1H3
InChIKeyRTOXRDUIPRNSGV-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds2

About 2-methylsulfanylethylidenecyclohexane

2-methylsulfanylethylidenecyclohexane (PubChem CID 14529198) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-methylsulfanylethylidenecyclohexane.

Molecular Properties

Compound Name2-methylsulfanylethylidenecyclohexane
PubChem CID14529198
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-methylsulfanylethylidenecyclohexane
SMILESCSCC=C1CCCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7H,2-6,8H2,1H3
InChIKeyRTOXRDUIPRNSGV-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.24
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

2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin
CID 534986
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
1-Methylsulfanylpropylidenecyclohexane
CID 12397148
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
CID 155935613
(E)-1-methylsulfanyloct-2-ene
CID 13323220
(E)-4-methyl-1-methylsulfanyloct-3-ene
CID 10986749
2-Cyclohexylideneethylsulfanylmethyl(trimethyl)silane
CID 12640880
1-Methyl-3-methylsulfanylcyclohexene
CID 13525336
(2E)-1-tert-butylsulfanyl-3,7-dimethylocta-2,6-diene
CID 24972398

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethylidenecyclohexane?
The IUPAC name of 2-methylsulfanylethylidenecyclohexane (CID 14529198) is 2-methylsulfanylethylidenecyclohexane.
What is the SMILES notation for 2-methylsulfanylethylidenecyclohexane?
The canonical SMILES for 2-methylsulfanylethylidenecyclohexane is CSCC=C1CCCCC1.
What is the InChIKey of 2-methylsulfanylethylidenecyclohexane?
The InChIKey is RTOXRDUIPRNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-methylsulfanylethylidenecyclohexane?
2-methylsulfanylethylidenecyclohexane has a molecular weight of 156.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethylidenecyclohexane is sourced from PubChem (CID 14529198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).