ethyl-oxo-propyl-sulfanylidene-λ6-sulfane

C5H12OS2 — CID 129120606

IUPACethyl-oxo-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(=S)CC
InChIInChI=1S/C5H12OS2/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3
InChIKeyQSDHZYFWUXTYKQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.16
Rot. Bonds3

About ethyl-oxo-propyl-sulfanylidene-λ6-sulfane

ethyl-oxo-propyl-sulfanylidene-λ6-sulfane (PubChem CID 129120606) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is ethyl-oxo-propyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethyl-oxo-propyl-sulfanylidene-λ6-sulfane
PubChem CID129120606
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Nameethyl-oxo-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(=S)CC
InChIInChI=1S/C5H12OS2/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3
InChIKeyQSDHZYFWUXTYKQ-UHFFFAOYSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-propyl-sulfanylidene-λ6-sulfane?
The IUPAC name of ethyl-oxo-propyl-sulfanylidene-λ6-sulfane (CID 129120606) is ethyl-oxo-propyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethyl-oxo-propyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethyl-oxo-propyl-sulfanylidene-λ6-sulfane is CCCS(=O)(=S)CC.
What is the InChIKey of ethyl-oxo-propyl-sulfanylidene-λ6-sulfane?
The InChIKey is QSDHZYFWUXTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3.
What are the key properties of ethyl-oxo-propyl-sulfanylidene-λ6-sulfane?
ethyl-oxo-propyl-sulfanylidene-λ6-sulfane has a molecular weight of 152.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-propyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 129120606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).