2-ethylsulfanylcyclohexane-1-thiol

C8H16S2 — CID 20564650

IUPAC2-ethylsulfanylcyclohexane-1-thiol
SMILESCCSC1CCCCC1S
InChIInChI=1S/C8H16S2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKeyOBSSGIGXSKBLDX-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.98
Rot. Bonds2

About 2-ethylsulfanylcyclohexane-1-thiol

2-ethylsulfanylcyclohexane-1-thiol (PubChem CID 20564650) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 2-ethylsulfanylcyclohexane-1-thiol.

Molecular Properties

Compound Name2-ethylsulfanylcyclohexane-1-thiol
PubChem CID20564650
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name2-ethylsulfanylcyclohexane-1-thiol
SMILESCCSC1CCCCC1S
InChIInChI=1S/C8H16S2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKeyOBSSGIGXSKBLDX-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylcyclohexane-1-thiol?
The IUPAC name of 2-ethylsulfanylcyclohexane-1-thiol (CID 20564650) is 2-ethylsulfanylcyclohexane-1-thiol.
What is the SMILES notation for 2-ethylsulfanylcyclohexane-1-thiol?
The canonical SMILES for 2-ethylsulfanylcyclohexane-1-thiol is CCSC1CCCCC1S.
What is the InChIKey of 2-ethylsulfanylcyclohexane-1-thiol?
The InChIKey is OBSSGIGXSKBLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3.
What are the key properties of 2-ethylsulfanylcyclohexane-1-thiol?
2-ethylsulfanylcyclohexane-1-thiol has a molecular weight of 176.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylcyclohexane-1-thiol is sourced from PubChem (CID 20564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).