2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol

C11H20S — CID 145283951

IUPAC2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol
SMILESC=C1CC(C)CCC1C(C)(C)S
InChIInChI=1S/C11H20S/c1-8-5-6-10(9(2)7-8)11(3,4)12/h8,10,12H,2,5-7H2,1,3-4H3
InChIKeyJGQZPYHGOGKXSN-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.69
Rot. Bonds1

About 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol

2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol (PubChem CID 145283951) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol.

Molecular Properties

Compound Name2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol
PubChem CID145283951
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol
SMILESC=C1CC(C)CCC1C(C)(C)S
InChIInChI=1S/C11H20S/c1-8-5-6-10(9(2)7-8)11(3,4)12/h8,10,12H,2,5-7H2,1,3-4H3
InChIKeyJGQZPYHGOGKXSN-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol?
The IUPAC name of 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol (CID 145283951) is 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol.
What is the SMILES notation for 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol?
The canonical SMILES for 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol is C=C1CC(C)CCC1C(C)(C)S.
What is the InChIKey of 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol?
The InChIKey is JGQZPYHGOGKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-8-5-6-10(9(2)7-8)11(3,4)12/h8,10,12H,2,5-7H2,1,3-4H3.
What are the key properties of 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol?
2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol has a molecular weight of 184.35 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylidenecyclohexyl)propane-2-thiol is sourced from PubChem (CID 145283951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).