1-chloro-4-(4-chlorophenyl)sulfinylbenzene

C12H8Cl2OS — CID 18329

IUPAC1-chloro-4-(4-chlorophenyl)sulfinylbenzene
SMILESO=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChIKeyKJGYFISADIZFEL-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.16
Rot. Bonds2

About 1-chloro-4-(4-chlorophenyl)sulfinylbenzene

1-chloro-4-(4-chlorophenyl)sulfinylbenzene (PubChem CID 18329) has the molecular formula C12H8Cl2OS and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)sulfinylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)sulfinylbenzene
PubChem CID18329
Molecular FormulaC12H8Cl2OS
Molecular Weight271.17 g/mol
Exact Mass269.97
IUPAC Name1-chloro-4-(4-chlorophenyl)sulfinylbenzene
SMILESO=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChIKeyKJGYFISADIZFEL-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sulphenone
CID 6621
4,4'-Dichlorodiphenyl sulfone
CID 6625
1-Chloro-4-(methylsulfonyl)benzene
CID 7395
Bis(p-chlorophenyl)disulfide
CID 14360
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
Benzene, 1-chloro-3-(phenylthio)-
CID 97584
Bis(4-chlorophenyl) sulfide
CID 78854
1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
CID 27745
1-Chloro-4-(ethenylsulfonyl)benzene
CID 21703
3,3',4,4'-Tetrachlorodiphenyl sulfone
CID 257524
1-Chloro-4-(phenylsulfinyl)benzene
CID 120885
1-Chloro-4-[(4-chlorophenyl)trisulfanyl]benzene
CID 10969209

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfinylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfinylbenzene (CID 18329) is 1-chloro-4-(4-chlorophenyl)sulfinylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)sulfinylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)sulfinylbenzene is O=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)sulfinylbenzene?
The InChIKey is KJGYFISADIZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorophenyl)sulfinylbenzene?
1-chloro-4-(4-chlorophenyl)sulfinylbenzene has a molecular weight of 271.17 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)sulfinylbenzene is sourced from PubChem (CID 18329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).