ethylsulfanylethane;methylbenzene;bis(platinum(2+))

C36H48Pt2S2 — CID 15975296

IUPACethylsulfanylethane;methylbenzene;bis(platinum(2+))
SMILESCCSCC.CCSCC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[Pt+2].[Pt+2]
InChIInChI=1S/4C7H7.2C4H10S.2Pt/c4*1-7-5-3-2-4-6-7;2*1-3-5-4-2;;/h4*2-3,5-6H,1H3;2*3-4H2,1-2H3;;/q4*-1;;;2*+2
InChIKeyFVBAZTHDXBYMFZ-UHFFFAOYSA-N
MW935.07 g/mol
LogP10.69
Rot. Bonds4

About ethylsulfanylethane;methylbenzene;bis(platinum(2+))

ethylsulfanylethane;methylbenzene;bis(platinum(2+)) (PubChem CID 15975296) has the molecular formula C36H48Pt2S2 and a molecular weight of 935.07 g/mol. Its IUPAC name is ethylsulfanylethane;methylbenzene;bis(platinum(2+)).

Molecular Properties

Compound Nameethylsulfanylethane;methylbenzene;bis(platinum(2+))
PubChem CID15975296
Molecular FormulaC36H48Pt2S2
Molecular Weight935.07 g/mol
Exact Mass934.25
IUPAC Nameethylsulfanylethane;methylbenzene;bis(platinum(2+))
SMILESCCSCC.CCSCC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[Pt+2].[Pt+2]
InChIInChI=1S/4C7H7.2C4H10S.2Pt/c4*1-7-5-3-2-4-6-7;2*1-3-5-4-2;;/h4*2-3,5-6H,1H3;2*3-4H2,1-2H3;;/q4*-1;;;2*+2
InChIKeyFVBAZTHDXBYMFZ-UHFFFAOYSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.07
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethylbenzene;zinc
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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;methylbenzene;bis(platinum(2+))?
The IUPAC name of ethylsulfanylethane;methylbenzene;bis(platinum(2+)) (CID 15975296) is ethylsulfanylethane;methylbenzene;bis(platinum(2+)).
What is the SMILES notation for ethylsulfanylethane;methylbenzene;bis(platinum(2+))?
The canonical SMILES for ethylsulfanylethane;methylbenzene;bis(platinum(2+)) is CCSCC.CCSCC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[Pt+2].[Pt+2].
What is the InChIKey of ethylsulfanylethane;methylbenzene;bis(platinum(2+))?
The InChIKey is FVBAZTHDXBYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H7.2C4H10S.2Pt/c4*1-7-5-3-2-4-6-7;2*1-3-5-4-2;;/h4*2-3,5-6H,1H3;2*3-4H2,1-2H3;;/q4*-1;;;2*+2.
What are the key properties of ethylsulfanylethane;methylbenzene;bis(platinum(2+))?
ethylsulfanylethane;methylbenzene;bis(platinum(2+)) has a molecular weight of 935.07 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;methylbenzene;bis(platinum(2+)) is sourced from PubChem (CID 15975296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).