1-methoxysulfanyl-3-methylsulfanylcyclopentane

C7H14OS2 — CID 166788380

IUPAC1-methoxysulfanyl-3-methylsulfanylcyclopentane
SMILESCOSC1CCC(SC)C1
InChIInChI=1S/C7H14OS2/c1-8-10-7-4-3-6(5-7)9-2/h6-7H,3-5H2,1-2H3
InChIKeyMVOCPVHAPBCSGT-UHFFFAOYSA-N
MW178.32 g/mol
LogP2.57
Rot. Bonds3

About 1-methoxysulfanyl-3-methylsulfanylcyclopentane

1-methoxysulfanyl-3-methylsulfanylcyclopentane (PubChem CID 166788380) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-methoxysulfanyl-3-methylsulfanylcyclopentane.

Molecular Properties

Compound Name1-methoxysulfanyl-3-methylsulfanylcyclopentane
PubChem CID166788380
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name1-methoxysulfanyl-3-methylsulfanylcyclopentane
SMILESCOSC1CCC(SC)C1
InChIInChI=1S/C7H14OS2/c1-8-10-7-4-3-6(5-7)9-2/h6-7H,3-5H2,1-2H3
InChIKeyMVOCPVHAPBCSGT-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxysulfanyl-3-methylsulfanylcyclopentane?
The IUPAC name of 1-methoxysulfanyl-3-methylsulfanylcyclopentane (CID 166788380) is 1-methoxysulfanyl-3-methylsulfanylcyclopentane.
What is the SMILES notation for 1-methoxysulfanyl-3-methylsulfanylcyclopentane?
The canonical SMILES for 1-methoxysulfanyl-3-methylsulfanylcyclopentane is COSC1CCC(SC)C1.
What is the InChIKey of 1-methoxysulfanyl-3-methylsulfanylcyclopentane?
The InChIKey is MVOCPVHAPBCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2/c1-8-10-7-4-3-6(5-7)9-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methoxysulfanyl-3-methylsulfanylcyclopentane?
1-methoxysulfanyl-3-methylsulfanylcyclopentane has a molecular weight of 178.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxysulfanyl-3-methylsulfanylcyclopentane is sourced from PubChem (CID 166788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).