1-methylidene-3-methylsulfanylcyclohexane

C8H14S — CID 91418356

IUPAC1-methylidene-3-methylsulfanylcyclohexane
SMILESC=C1CCCC(SC)C1
InChIInChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h8H,1,3-6H2,2H3
InChIKeySQWHXNNXXLADBR-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds1

About 1-methylidene-3-methylsulfanylcyclohexane

1-methylidene-3-methylsulfanylcyclohexane (PubChem CID 91418356) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-methylidene-3-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-methylidene-3-methylsulfanylcyclohexane
PubChem CID91418356
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-methylidene-3-methylsulfanylcyclohexane
SMILESC=C1CCCC(SC)C1
InChIInChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h8H,1,3-6H2,2H3
InChIKeySQWHXNNXXLADBR-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
5-methyl-3,4-dihydro-2H-thiopyran
CID 15093005
Hex-1-en-2-ylsulfanylcyclohexane
CID 58150586
2-Fluoro-4-methylidene-1-methylsulfanylcyclohexane
CID 90707277
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
1-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-Ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
CID 91498764
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
Methylsulfanyl-methylene-cyclohexane
CID 12440543
1-Methylidene-2-methylsulfanylcyclotridecane
CID 14529197
(E)-2-methyl-1-propylsulfanyloct-1-ene
CID 132579845
(E)-1-hexylsulfanyl-2-methyloct-1-ene
CID 132579848

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-methylsulfanylcyclohexane?
The IUPAC name of 1-methylidene-3-methylsulfanylcyclohexane (CID 91418356) is 1-methylidene-3-methylsulfanylcyclohexane.
What is the SMILES notation for 1-methylidene-3-methylsulfanylcyclohexane?
The canonical SMILES for 1-methylidene-3-methylsulfanylcyclohexane is C=C1CCCC(SC)C1.
What is the InChIKey of 1-methylidene-3-methylsulfanylcyclohexane?
The InChIKey is SQWHXNNXXLADBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-4-3-5-8(6-7)9-2/h8H,1,3-6H2,2H3.
What are the key properties of 1-methylidene-3-methylsulfanylcyclohexane?
1-methylidene-3-methylsulfanylcyclohexane has a molecular weight of 142.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-methylsulfanylcyclohexane is sourced from PubChem (CID 91418356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).