oxo-propoxy-propyl-sulfanylidene-λ6-sulfane

C6H14O2S2 — CID 22472261

IUPACoxo-propoxy-propyl-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)(=S)CCC
InChIInChI=1S/C6H14O2S2/c1-3-5-8-10(7,9)6-4-2/h3-6H2,1-2H3
InChIKeyKSOOOPXMOBQZBP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.48
Rot. Bonds5

About oxo-propoxy-propyl-sulfanylidene-λ6-sulfane

oxo-propoxy-propyl-sulfanylidene-λ6-sulfane (PubChem CID 22472261) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is oxo-propoxy-propyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameoxo-propoxy-propyl-sulfanylidene-λ6-sulfane
PubChem CID22472261
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Nameoxo-propoxy-propyl-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)(=S)CCC
InChIInChI=1S/C6H14O2S2/c1-3-5-8-10(7,9)6-4-2/h3-6H2,1-2H3
InChIKeyKSOOOPXMOBQZBP-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxo-propoxy-propyl-sulfanylidene-λ6-sulfane?
The IUPAC name of oxo-propoxy-propyl-sulfanylidene-λ6-sulfane (CID 22472261) is oxo-propoxy-propyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for oxo-propoxy-propyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for oxo-propoxy-propyl-sulfanylidene-λ6-sulfane is CCCOS(=O)(=S)CCC.
What is the InChIKey of oxo-propoxy-propyl-sulfanylidene-λ6-sulfane?
The InChIKey is KSOOOPXMOBQZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-3-5-8-10(7,9)6-4-2/h3-6H2,1-2H3.
What are the key properties of oxo-propoxy-propyl-sulfanylidene-λ6-sulfane?
oxo-propoxy-propyl-sulfanylidene-λ6-sulfane has a molecular weight of 182.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-propoxy-propyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 22472261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).