ethylbenzene;phenylsulfanylbenzene;uranium(2+)

C20H18SU — CID 163881896

IUPACethylbenzene;phenylsulfanylbenzene;uranium(2+)
SMILESCCc1[c-]cccc1.[U+2].[c-]1ccccc1Sc1ccccc1
InChIInChI=1S/C12H9S.C8H9.U/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;/h1-9H;3-6H,2H2,1H3;/q2*-1;+2
InChIKeyVYZCXRAPTRJLDU-UHFFFAOYSA-N
MW528.46 g/mol
LogP5.69
Rot. Bonds3

About ethylbenzene;phenylsulfanylbenzene;uranium(2+)

ethylbenzene;phenylsulfanylbenzene;uranium(2+) (PubChem CID 163881896) has the molecular formula C20H18SU and a molecular weight of 528.46 g/mol. Its IUPAC name is ethylbenzene;phenylsulfanylbenzene;uranium(2+).

Molecular Properties

Compound Nameethylbenzene;phenylsulfanylbenzene;uranium(2+)
PubChem CID163881896
Molecular FormulaC20H18SU
Molecular Weight528.46 g/mol
Exact Mass528.16
IUPAC Nameethylbenzene;phenylsulfanylbenzene;uranium(2+)
SMILESCCc1[c-]cccc1.[U+2].[c-]1ccccc1Sc1ccccc1
InChIInChI=1S/C12H9S.C8H9.U/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;/h1-9H;3-6H,2H2,1H3;/q2*-1;+2
InChIKeyVYZCXRAPTRJLDU-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Diphenyl sulfide
CID 8766
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Benzene, (butylthio)-
CID 136905
Prenylphenyl sulfide
CID 329234
Triphenylsulfonium chloride
CID 61343
Dimethyl(phenyl)sulfonium
CID 425720
((1-Methylethyl)thio)benzene
CID 76397
Isobutylthiobenzene
CID 83327
((1,1-Dimethylethyl)thio)benzene
CID 137798
Tert-butyl phenyl sulfoxide
CID 138141
1,1'-Sulfanediyldi(~2~H_5_)benzene
CID 71309031

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;phenylsulfanylbenzene;uranium(2+)?
The IUPAC name of ethylbenzene;phenylsulfanylbenzene;uranium(2+) (CID 163881896) is ethylbenzene;phenylsulfanylbenzene;uranium(2+).
What is the SMILES notation for ethylbenzene;phenylsulfanylbenzene;uranium(2+)?
The canonical SMILES for ethylbenzene;phenylsulfanylbenzene;uranium(2+) is CCc1[c-]cccc1.[U+2].[c-]1ccccc1Sc1ccccc1.
What is the InChIKey of ethylbenzene;phenylsulfanylbenzene;uranium(2+)?
The InChIKey is VYZCXRAPTRJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9S.C8H9.U/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;/h1-9H;3-6H,2H2,1H3;/q2*-1;+2.
What are the key properties of ethylbenzene;phenylsulfanylbenzene;uranium(2+)?
ethylbenzene;phenylsulfanylbenzene;uranium(2+) has a molecular weight of 528.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;phenylsulfanylbenzene;uranium(2+) is sourced from PubChem (CID 163881896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).