1-phenylcyclohexane-1-thiol

C12H16S — CID 19348891

IUPAC1-phenylcyclohexane-1-thiol
SMILESSC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H16S/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyFRIPGYMFBYCUBL-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.78
Rot. Bonds1

About 1-phenylcyclohexane-1-thiol

1-phenylcyclohexane-1-thiol (PubChem CID 19348891) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-phenylcyclohexane-1-thiol.

Molecular Properties

Compound Name1-phenylcyclohexane-1-thiol
PubChem CID19348891
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name1-phenylcyclohexane-1-thiol
SMILESSC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H16S/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyFRIPGYMFBYCUBL-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclohexane-1-thiol?
The IUPAC name of 1-phenylcyclohexane-1-thiol (CID 19348891) is 1-phenylcyclohexane-1-thiol.
What is the SMILES notation for 1-phenylcyclohexane-1-thiol?
The canonical SMILES for 1-phenylcyclohexane-1-thiol is SC1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-phenylcyclohexane-1-thiol?
The InChIKey is FRIPGYMFBYCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2.
What are the key properties of 1-phenylcyclohexane-1-thiol?
1-phenylcyclohexane-1-thiol has a molecular weight of 192.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclohexane-1-thiol is sourced from PubChem (CID 19348891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).