2-cyclohexylsulfanylethanethiol

C8H16S2 — CID 12594005

IUPAC2-cyclohexylsulfanylethanethiol
SMILESSCCSC1CCCCC1
InChIInChI=1S/C8H16S2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeySITRHIYWGAHLBB-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.98
Rot. Bonds3

About 2-cyclohexylsulfanylethanethiol

2-cyclohexylsulfanylethanethiol (PubChem CID 12594005) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanylethanethiol.

Molecular Properties

Compound Name2-cyclohexylsulfanylethanethiol
PubChem CID12594005
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name2-cyclohexylsulfanylethanethiol
SMILESSCCSC1CCCCC1
InChIInChI=1S/C8H16S2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeySITRHIYWGAHLBB-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propylsulfanylcyclopentane
CID 534899
2-cyclopentylsulfanylethanamine
CID 23401603
butylsulfanylcycloheptane
CID 14970942
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
2-aminoethanethiol;2-cyclobutylsulfanylethanamine;iodocyclobutane
CID 158701995
octylsulfanylcycloheptane
CID 70441156
3-cycloheptylsulfanylpropanoic acid
CID 82926098
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
4-cyclopentylsulfanylbutylcyclohexane
CID 166876446
cyclohexylsulfanylmethanamine
CID 18729999
ethylsulfanylcycloheptane
CID 67666697

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylethanethiol?
The IUPAC name of 2-cyclohexylsulfanylethanethiol (CID 12594005) is 2-cyclohexylsulfanylethanethiol.
What is the SMILES notation for 2-cyclohexylsulfanylethanethiol?
The canonical SMILES for 2-cyclohexylsulfanylethanethiol is SCCSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanylethanethiol?
The InChIKey is SITRHIYWGAHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 2-cyclohexylsulfanylethanethiol?
2-cyclohexylsulfanylethanethiol has a molecular weight of 176.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylethanethiol is sourced from PubChem (CID 12594005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).