ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane

C9H12O2S2 — CID 139915926

IUPACethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C9H12O2S2/c1-2-13(10,12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeySPMBUMCULQKKLL-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.88
Rot. Bonds4

About ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane

ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane (PubChem CID 139915926) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
PubChem CID139915926
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Nameethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
SMILESCCS(=O)(=S)OCc1ccccc1
InChIInChI=1S/C9H12O2S2/c1-2-13(10,12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeySPMBUMCULQKKLL-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxo-phenylmethoxy-propyl-sulfanylidene-λ6-sulfane
CID 139915892
fluoro-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
CID 141038856
benzyl methanesulfonate;formaldehyde
CID 175233269
benzyl hydrogen sulfate
CID 20818
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928
benzyl butyl sulfate
CID 18317146
methylsulfonylmethoxymethylbenzene
CID 118027529
sodium benzyl phenylmethanesulfonate
CID 22169271
benzyl hydroxy sulfate
CID 174960485
benzyl sulfate;triphenylsulfanium
CID 88922485
alumane;benzyl hexadecane-1-sulfonate
CID 174278447
benzyl tridecyl sulfate
CID 169195796

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane (CID 139915926) is ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane is CCS(=O)(=S)OCc1ccccc1.
What is the InChIKey of ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
The InChIKey is SPMBUMCULQKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c1-2-13(10,12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane?
ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane has a molecular weight of 216.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 139915926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).