1-(cyclohexylmethyl)cyclohexane-1-thiol

C13H24S — CID 144560973

IUPAC1-(cyclohexylmethyl)cyclohexane-1-thiol
SMILESSC1(CC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24S/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12,14H,1-11H2
InChIKeyDQUHABQHRXFMJW-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.59
Rot. Bonds2

About 1-(cyclohexylmethyl)cyclohexane-1-thiol

1-(cyclohexylmethyl)cyclohexane-1-thiol (PubChem CID 144560973) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)cyclohexane-1-thiol
PubChem CID144560973
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name1-(cyclohexylmethyl)cyclohexane-1-thiol
SMILESSC1(CC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24S/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12,14H,1-11H2
InChIKeyDQUHABQHRXFMJW-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
CID 66035796
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
[2-(cyclohexylmethyl)oxan-2-yl]silane
CID 123591817
[2-(cyclopentadecylmethyl)oxan-2-yl]silane
CID 175099799
1-(cyclohexylmethyl)cyclopropane-1-carbaldehyde
CID 130729334
1-(chloromethyl)cyclohexane-1-thiol
CID 22460310
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
CID 163878928
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
cyclononylmethylphosphane
CID 146293630
cyclononylmethanethiol
CID 88545398

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)cyclohexane-1-thiol?
The IUPAC name of 1-(cyclohexylmethyl)cyclohexane-1-thiol (CID 144560973) is 1-(cyclohexylmethyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(cyclohexylmethyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(cyclohexylmethyl)cyclohexane-1-thiol is SC1(CC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)cyclohexane-1-thiol?
The InChIKey is DQUHABQHRXFMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12,14H,1-11H2.
What are the key properties of 1-(cyclohexylmethyl)cyclohexane-1-thiol?
1-(cyclohexylmethyl)cyclohexane-1-thiol has a molecular weight of 212.40 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)cyclohexane-1-thiol is sourced from PubChem (CID 144560973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).