sulfuryl dichloride;1,2,4-trichlorobenzene

C6H3Cl5O2S — CID 77134549

IUPACsulfuryl dichloride;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H3Cl3.Cl2O2S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3H;
InChIKeyYDWVVPMQZHWQNN-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.36
Rot. Bonds

About sulfuryl dichloride;1,2,4-trichlorobenzene

sulfuryl dichloride;1,2,4-trichlorobenzene (PubChem CID 77134549) has the molecular formula C6H3Cl5O2S and a molecular weight of 316.42 g/mol. Its IUPAC name is sulfuryl dichloride;1,2,4-trichlorobenzene.

Molecular Properties

Compound Namesulfuryl dichloride;1,2,4-trichlorobenzene
PubChem CID77134549
Molecular FormulaC6H3Cl5O2S
Molecular Weight316.42 g/mol
Exact Mass313.83
IUPAC Namesulfuryl dichloride;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H3Cl3.Cl2O2S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3H;
InChIKeyYDWVVPMQZHWQNN-UHFFFAOYSA-N
XLogP4.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,4-trichlorobenzene
CID 157397102
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
formonitrile;1,2,4-trichlorobenzene
CID 174386520
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
nitrous acid;1,2,4-trichlorobenzene
CID 174763822
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
CID 87064436
CID 87064436
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride
CID 141284433
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851

Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;1,2,4-trichlorobenzene?
The IUPAC name of sulfuryl dichloride;1,2,4-trichlorobenzene (CID 77134549) is sulfuryl dichloride;1,2,4-trichlorobenzene.
What is the SMILES notation for sulfuryl dichloride;1,2,4-trichlorobenzene?
The canonical SMILES for sulfuryl dichloride;1,2,4-trichlorobenzene is Clc1ccc(Cl)c(Cl)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;1,2,4-trichlorobenzene?
The InChIKey is YDWVVPMQZHWQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.Cl2O2S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3H;.
What are the key properties of sulfuryl dichloride;1,2,4-trichlorobenzene?
sulfuryl dichloride;1,2,4-trichlorobenzene has a molecular weight of 316.42 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;1,2,4-trichlorobenzene is sourced from PubChem (CID 77134549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).