ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane

C8H10O2S2 — CID 139915928

IUPACethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)Oc1ccccc1
InChIInChI=1S/C8H10O2S2/c1-2-12(9,11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMSUUNDWAHZTEGZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.75
Rot. Bonds3

About ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane

ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane (PubChem CID 139915928) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
PubChem CID139915928
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Nameethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)Oc1ccccc1
InChIInChI=1S/C8H10O2S2/c1-2-12(9,11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMSUUNDWAHZTEGZ-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane (CID 139915928) is ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane is CCS(=O)(=S)Oc1ccccc1.
What is the InChIKey of ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane?
The InChIKey is MSUUNDWAHZTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-2-12(9,11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane?
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane has a molecular weight of 202.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 139915928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).