1-methyl-4-methylidenecyclohexane-1-thiol

C8H14S — CID 142902741

IUPAC1-methyl-4-methylidenecyclohexane-1-thiol
SMILESC=C1CCC(C)(S)CC1
InChIInChI=1S/C8H14S/c1-7-3-5-8(2,9)6-4-7/h9H,1,3-6H2,2H3
InChIKeyHVXQWIVNYAMHJB-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.81
Rot. Bonds

About 1-methyl-4-methylidenecyclohexane-1-thiol

1-methyl-4-methylidenecyclohexane-1-thiol (PubChem CID 142902741) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-methyl-4-methylidenecyclohexane-1-thiol.

Molecular Properties

Compound Name1-methyl-4-methylidenecyclohexane-1-thiol
PubChem CID142902741
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-methyl-4-methylidenecyclohexane-1-thiol
SMILESC=C1CCC(C)(S)CC1
InChIInChI=1S/C8H14S/c1-7-3-5-8(2,9)6-4-7/h9H,1,3-6H2,2H3
InChIKeyHVXQWIVNYAMHJB-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
(2-Methylidenecyclohexyl)methanethiol
CID 15633292
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
1-(4-Methylidenecyclohexyl)ethanethiol
CID 123606657
4-Methyl-2,5-dimethylidenecyclohexane-1-thiol
CID 123665007
2,5-Dimethyl-4-methylidenecyclohexane-1-thione
CID 129157613
3-[2-Methylidene-1-(2-methylprop-2-enyl)cyclohexyl]prop-1-ene-2-thiol
CID 138662059
1-Methyl-2-methylidenecyclohexane-1,4-dithiol
CID 141769992
Ethane;5-methyl-2-methylidenecyclohexane-1-thione
CID 141802422
1-(4-Methylcyclohexyl)ethenethiol
CID 144413639
4-Methyl-3-methylidenecyclohexane-1-thiol
CID 144463844
1-Methyl-3-methylidenecyclohexane-1-thiol
CID 144582362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenecyclohexane-1-thiol?
The IUPAC name of 1-methyl-4-methylidenecyclohexane-1-thiol (CID 142902741) is 1-methyl-4-methylidenecyclohexane-1-thiol.
What is the SMILES notation for 1-methyl-4-methylidenecyclohexane-1-thiol?
The canonical SMILES for 1-methyl-4-methylidenecyclohexane-1-thiol is C=C1CCC(C)(S)CC1.
What is the InChIKey of 1-methyl-4-methylidenecyclohexane-1-thiol?
The InChIKey is HVXQWIVNYAMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-3-5-8(2,9)6-4-7/h9H,1,3-6H2,2H3.
What are the key properties of 1-methyl-4-methylidenecyclohexane-1-thiol?
1-methyl-4-methylidenecyclohexane-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenecyclohexane-1-thiol is sourced from PubChem (CID 142902741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).