methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane

C4H10O3S2 — CID 91480091

IUPACmethoxy-oxo-propoxy-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)(=S)OC
InChIInChI=1S/C4H10O3S2/c1-3-4-7-9(5,8)6-2/h3-4H2,1-2H3
InChIKeySUJAKEAVFBQNND-UHFFFAOYSA-N
MW170.25 g/mol
LogP0.64
Rot. Bonds4

About methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane

methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane (PubChem CID 91480091) has the molecular formula C4H10O3S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namemethoxy-oxo-propoxy-sulfanylidene-λ6-sulfane
PubChem CID91480091
Molecular FormulaC4H10O3S2
Molecular Weight170.25 g/mol
Exact Mass170.01
IUPAC Namemethoxy-oxo-propoxy-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)(=S)OC
InChIInChI=1S/C4H10O3S2/c1-3-4-7-9(5,8)6-2/h3-4H2,1-2H3
InChIKeySUJAKEAVFBQNND-UHFFFAOYSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane (CID 91480091) is methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane is CCCOS(=O)(=S)OC.
What is the InChIKey of methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane?
The InChIKey is SUJAKEAVFBQNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S2/c1-3-4-7-9(5,8)6-2/h3-4H2,1-2H3.
What are the key properties of methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane?
methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane has a molecular weight of 170.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-propoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 91480091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).