2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane

C10H22OS2 — CID 140993887

IUPAC2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane
SMILESCC(C)SCCOCCSC(C)C
InChIInChI=1S/C10H22OS2/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAYSMVBYLSXGYJF-UHFFFAOYSA-N
MW222.42 g/mol
LogP3.29
Rot. Bonds8

About 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane

2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane (PubChem CID 140993887) has the molecular formula C10H22OS2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane
PubChem CID140993887
Molecular FormulaC10H22OS2
Molecular Weight222.42 g/mol
Exact Mass222.11
IUPAC Name2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane
SMILESCC(C)SCCOCCSC(C)C
InChIInChI=1S/C10H22OS2/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAYSMVBYLSXGYJF-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane?
The IUPAC name of 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane (CID 140993887) is 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane.
What is the SMILES notation for 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane?
The canonical SMILES for 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane is CC(C)SCCOCCSC(C)C.
What is the InChIKey of 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane?
The InChIKey is AYSMVBYLSXGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane?
2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane has a molecular weight of 222.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylsulfanylethoxy)ethylsulfanyl]propane is sourced from PubChem (CID 140993887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).