sulfuryl dichloride;tritylbenzene

C25H20Cl2O2S — CID 174476389

IUPACsulfuryl dichloride;tritylbenzene
SMILESO=S(=O)(Cl)Cl.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20.Cl2O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(2,3)4/h1-20H;
InChIKeyIQMJGLUJFZADKA-UHFFFAOYSA-N
MW455.41 g/mol
LogP6.78
Rot. Bonds4

About sulfuryl dichloride;tritylbenzene

sulfuryl dichloride;tritylbenzene (PubChem CID 174476389) has the molecular formula C25H20Cl2O2S and a molecular weight of 455.41 g/mol. Its IUPAC name is sulfuryl dichloride;tritylbenzene.

Molecular Properties

Compound Namesulfuryl dichloride;tritylbenzene
PubChem CID174476389
Molecular FormulaC25H20Cl2O2S
Molecular Weight455.41 g/mol
Exact Mass454.06
IUPAC Namesulfuryl dichloride;tritylbenzene
SMILESO=S(=O)(Cl)Cl.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20.Cl2O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(2,3)4/h1-20H;
InChIKeyIQMJGLUJFZADKA-UHFFFAOYSA-N
XLogP6.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677
4-[(4-fluorosulfonylphenyl)-diphenylmethyl]benzenesulfonyl fluoride
CID 171538167
1-chloro-4-tritylbenzene
CID 14737307
iodobenzene;sulfuryl dichloride
CID 87648200
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
tert-butylbenzene;chloromethane;ethane
CID 91149652
1-chloro-3-tritylbenzene
CID 14737306
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
N-phenylsulfamoyl chloride
CID 11564615

Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;tritylbenzene?
The IUPAC name of sulfuryl dichloride;tritylbenzene (CID 174476389) is sulfuryl dichloride;tritylbenzene.
What is the SMILES notation for sulfuryl dichloride;tritylbenzene?
The canonical SMILES for sulfuryl dichloride;tritylbenzene is O=S(=O)(Cl)Cl.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sulfuryl dichloride;tritylbenzene?
The InChIKey is IQMJGLUJFZADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.Cl2O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(2,3)4/h1-20H;.
What are the key properties of sulfuryl dichloride;tritylbenzene?
sulfuryl dichloride;tritylbenzene has a molecular weight of 455.41 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;tritylbenzene is sourced from PubChem (CID 174476389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).