chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene

C18H13Cl3F4S3 — CID 159307363

IUPACchloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene
SMILESClc1ccc(SSc2ccccc2)cc1.FS(F)(F)(F)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClS2.C6H4Cl2F4S/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-9H;1-4H
InChIKeyLCBXCCKFEROMTO-UHFFFAOYSA-N
MW507.85 g/mol
LogP10.41
Rot. Bonds4

About chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene

chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene (PubChem CID 159307363) has the molecular formula C18H13Cl3F4S3 and a molecular weight of 507.85 g/mol. Its IUPAC name is chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene.

Molecular Properties

Compound Namechloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene
PubChem CID159307363
Molecular FormulaC18H13Cl3F4S3
Molecular Weight507.85 g/mol
Exact Mass505.92
IUPAC Namechloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene
SMILESClc1ccc(SSc2ccccc2)cc1.FS(F)(F)(F)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClS2.C6H4Cl2F4S/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-9H;1-4H
InChIKeyLCBXCCKFEROMTO-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.85
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
2-[(4-chlorophenyl)disulfanyl]-1-oxidopyridin-1-ium
CID 14946843
benzene;chlorobenzene
CID 159657667
1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
CID 10944930
1-chloro-4-phenylsulfanyloxybenzene
CID 150643936
chloro-[3-chloro-5-[chloro(tetrafluoro)-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane
CID 142709131
azane;chlorobenzene
CID 20560159
chlorobenzene;chromium
CID 139244081
bismuthane;chlorobenzene
CID 174535973
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
chlorobenzene;hydrazine
CID 69403092

Frequently Asked Questions

What is the IUPAC name of chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene?
The IUPAC name of chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene (CID 159307363) is chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene.
What is the SMILES notation for chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene?
The canonical SMILES for chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene is Clc1ccc(SSc2ccccc2)cc1.FS(F)(F)(F)(Cl)c1ccc(Cl)cc1.
What is the InChIKey of chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene?
The InChIKey is LCBXCCKFEROMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClS2.C6H4Cl2F4S/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-9H;1-4H.
What are the key properties of chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene?
chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene has a molecular weight of 507.85 g/mol, XLogP of 10.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene is sourced from PubChem (CID 159307363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).