2-ethylsulfanylethylcyclohexane

C10H20S — CID 89032228

IUPAC2-ethylsulfanylethylcyclohexane
SMILESCCSCCC1CCCCC1
InChIInChI=1S/C10H20S/c1-2-11-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyDWDHBRDFBVZWPE-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.71
Rot. Bonds4

About 2-ethylsulfanylethylcyclohexane

2-ethylsulfanylethylcyclohexane (PubChem CID 89032228) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-ethylsulfanylethylcyclohexane.

Molecular Properties

Compound Name2-ethylsulfanylethylcyclohexane
PubChem CID89032228
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-ethylsulfanylethylcyclohexane
SMILESCCSCCC1CCCCC1
InChIInChI=1S/C10H20S/c1-2-11-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyDWDHBRDFBVZWPE-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylcyclohexane?
The IUPAC name of 2-ethylsulfanylethylcyclohexane (CID 89032228) is 2-ethylsulfanylethylcyclohexane.
What is the SMILES notation for 2-ethylsulfanylethylcyclohexane?
The canonical SMILES for 2-ethylsulfanylethylcyclohexane is CCSCCC1CCCCC1.
What is the InChIKey of 2-ethylsulfanylethylcyclohexane?
The InChIKey is DWDHBRDFBVZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-2-11-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of 2-ethylsulfanylethylcyclohexane?
2-ethylsulfanylethylcyclohexane has a molecular weight of 172.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylcyclohexane is sourced from PubChem (CID 89032228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).