difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane

C24H27AgF5I2S3V — CID 162039839

IUPACdifluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane
SMILESCc1ccc(S(F)(F)F)c(C)c1.Cc1ccc(SSc2ccc(C)cc2C)c(C)c1.F[Ag]F.I[V]I
InChIInChI=1S/C16H18S2.C8H9F3S.Ag.2FH.2HI.V/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4;1-6-3-4-8(7(2)5-6)12(9,10)11;;;;;;/h5-10H,1-4H3;3-5H,1-2H3;;4*1H;/q;;+2;;;;;+2/p-4
InChIKeyYXCYCAOWCHEFJP-UHFFFAOYSA-J
MW919.29 g/mol
LogP12.45
Rot. Bonds4

About difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane

difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane (PubChem CID 162039839) has the molecular formula C24H27AgF5I2S3V and a molecular weight of 919.29 g/mol. Its IUPAC name is difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane.

Molecular Properties

Compound Namedifluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane
PubChem CID162039839
Molecular FormulaC24H27AgF5I2S3V
Molecular Weight919.29 g/mol
Exact Mass917.78
IUPAC Namedifluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane
SMILESCc1ccc(S(F)(F)F)c(C)c1.Cc1ccc(SSc2ccc(C)cc2C)c(C)c1.F[Ag]F.I[V]I
InChIInChI=1S/C16H18S2.C8H9F3S.Ag.2FH.2HI.V/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4;1-6-3-4-8(7(2)5-6)12(9,10)11;;;;;;/h5-10H,1-4H3;3-5H,1-2H3;;4*1H;/q;;+2;;;;;+2/p-4
InChIKeyYXCYCAOWCHEFJP-UHFFFAOYSA-J
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.29
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
CID 143617729
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
CID 143231440
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232
5-(2,4-dimethylphenyl)sulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 165353209
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
2-(2,4-dimethylphenyl)sulfonyl-3-methylbutan-1-ol
CID 117037707
3-(2,4-dimethylphenyl)sulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753414
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262

Frequently Asked Questions

What is the IUPAC name of difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane?
The IUPAC name of difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane (CID 162039839) is difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane.
What is the SMILES notation for difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane?
The canonical SMILES for difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane is Cc1ccc(S(F)(F)F)c(C)c1.Cc1ccc(SSc2ccc(C)cc2C)c(C)c1.F[Ag]F.I[V]I.
What is the InChIKey of difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane?
The InChIKey is YXCYCAOWCHEFJP-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H18S2.C8H9F3S.Ag.2FH.2HI.V/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4;1-6-3-4-8(7(2)5-6)12(9,10)11;;;;;;/h5-10H,1-4H3;3-5H,1-2H3;;4*1H;/q;;+2;;;;;+2/p-4.
What are the key properties of difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane?
difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane has a molecular weight of 919.29 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane is sourced from PubChem (CID 162039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).