2-(4-methylidenecyclohexyl)thiirane

C9H14S — CID 102249115

IUPAC2-(4-methylidenecyclohexyl)thiirane
SMILESC=C1CCC(C2CS2)CC1
InChIInChI=1S/C9H14S/c1-7-2-4-8(5-3-7)9-6-10-9/h8-9H,1-6H2
InChIKeyIXGSGJOOIADQLS-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.85
Rot. Bonds1

About 2-(4-methylidenecyclohexyl)thiirane

2-(4-methylidenecyclohexyl)thiirane (PubChem CID 102249115) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexyl)thiirane.

Molecular Properties

Compound Name2-(4-methylidenecyclohexyl)thiirane
PubChem CID102249115
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-(4-methylidenecyclohexyl)thiirane
SMILESC=C1CCC(C2CS2)CC1
InChIInChI=1S/C9H14S/c1-7-2-4-8(5-3-7)9-6-10-9/h8-9H,1-6H2
InChIKeyIXGSGJOOIADQLS-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylidenecyclohexyl)thiirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
3-(Trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
CID 125475426
2-Pentylsulfanylprop-2-enylcyclohexane
CID 58150584
1-Methyl-4-methylidene-2-methylsulfanylcyclohexane
CID 90695468
2-Ethyl-4-methylidene-1-methylsulfanylcyclohexane
CID 90701630
1-Ethyl-4-methylidene-2-methylsulfanylcyclohexane
CID 90958310
2-Methyl-4-methylidene-1-methylsulfanylcyclohexane
CID 91148146
3-Methyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophene
CID 118441345
2-(2,3-Dimethylhept-1-en-4-yl)-2-methylthiirane
CID 123978996
[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane
CID 134218389
1-deuterio-1-[(E)-1-methylsulfanylprop-1-en-2-yl]cyclohexane
CID 141638765
[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane
CID 155053623

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenecyclohexyl)thiirane?
The IUPAC name of 2-(4-methylidenecyclohexyl)thiirane (CID 102249115) is 2-(4-methylidenecyclohexyl)thiirane.
What is the SMILES notation for 2-(4-methylidenecyclohexyl)thiirane?
The canonical SMILES for 2-(4-methylidenecyclohexyl)thiirane is C=C1CCC(C2CS2)CC1.
What is the InChIKey of 2-(4-methylidenecyclohexyl)thiirane?
The InChIKey is IXGSGJOOIADQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-7-2-4-8(5-3-7)9-6-10-9/h8-9H,1-6H2.
What are the key properties of 2-(4-methylidenecyclohexyl)thiirane?
2-(4-methylidenecyclohexyl)thiirane has a molecular weight of 154.28 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 2-(4-methylidenecyclohexyl)thiirane is sourced from PubChem (CID 102249115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).