ethylsulfinylbenzene;palladium

C8H10OPdS — CID 174712422

IUPACethylsulfinylbenzene;palladium
SMILESCCS(=O)c1ccccc1.[Pd]
InChIInChI=1S/C8H10OS.Pd/c1-2-10(9)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyXUGJETMMHOAIGP-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.81
Rot. Bonds2

About ethylsulfinylbenzene;palladium

ethylsulfinylbenzene;palladium (PubChem CID 174712422) has the molecular formula C8H10OPdS and a molecular weight of 260.65 g/mol. Its IUPAC name is ethylsulfinylbenzene;palladium.

Molecular Properties

Compound Nameethylsulfinylbenzene;palladium
PubChem CID174712422
Molecular FormulaC8H10OPdS
Molecular Weight260.65 g/mol
Exact Mass259.95
IUPAC Nameethylsulfinylbenzene;palladium
SMILESCCS(=O)c1ccccc1.[Pd]
InChIInChI=1S/C8H10OS.Pd/c1-2-10(9)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyXUGJETMMHOAIGP-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
octadecylsulfinylbenzene
CID 10937741
1-tert-butyl-3-ethylsulfinylbenzene
CID 13237369
6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
3-ethylsulfinylbenzaldehyde
CID 90106226
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
benzenesulfinylmethyl propanoate
CID 174216133
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
CID 21391051
ethyl benzenesulfinate
CID 6421224
2-(benzenesulfinyl)acetate
CID 23432658

Frequently Asked Questions

What is the IUPAC name of ethylsulfinylbenzene;palladium?
The IUPAC name of ethylsulfinylbenzene;palladium (CID 174712422) is ethylsulfinylbenzene;palladium.
What is the SMILES notation for ethylsulfinylbenzene;palladium?
The canonical SMILES for ethylsulfinylbenzene;palladium is CCS(=O)c1ccccc1.[Pd].
What is the InChIKey of ethylsulfinylbenzene;palladium?
The InChIKey is XUGJETMMHOAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS.Pd/c1-2-10(9)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;.
What are the key properties of ethylsulfinylbenzene;palladium?
ethylsulfinylbenzene;palladium has a molecular weight of 260.65 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylbenzene;palladium is sourced from PubChem (CID 174712422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).