1-(benzenesulfinylsulfinyl)-4-chlorobenzene

C12H9ClO2S2 — CID 57199201

IUPAC1-(benzenesulfinylsulfinyl)-4-chlorobenzene
SMILESO=S(c1ccccc1)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(15)16(14)11-4-2-1-3-5-11/h1-9H
InChIKeyKNOCCNLZBHXERY-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.17
Rot. Bonds3

About 1-(benzenesulfinylsulfinyl)-4-chlorobenzene

1-(benzenesulfinylsulfinyl)-4-chlorobenzene (PubChem CID 57199201) has the molecular formula C12H9ClO2S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(benzenesulfinylsulfinyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(benzenesulfinylsulfinyl)-4-chlorobenzene
PubChem CID57199201
Molecular FormulaC12H9ClO2S2
Molecular Weight284.79 g/mol
Exact Mass283.97
IUPAC Name1-(benzenesulfinylsulfinyl)-4-chlorobenzene
SMILESO=S(c1ccccc1)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(15)16(14)11-4-2-1-3-5-11/h1-9H
InChIKeyKNOCCNLZBHXERY-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.17
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-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene
CID 819546
1-chloro-4-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]benzene
CID 11231845
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
benzene;chlorobenzene
CID 159657667
1-[(1R)-1-bromo-2-phenylethyl]sulfinyl-4-chlorobenzene
CID 101074890
2-phenylethynyl 4-chlorobenzenesulfinate
CID 101139542
4-chloro-2-deuterio-N-phenylbenzenesulfinamide
CID 12568382
2-(4-chlorophenyl)-N-phenylethenesulfinamide
CID 3716001
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884
1-chloro-4-(tribromomethylsulfinyl)benzene
CID 23535143
azane;chlorobenzene
CID 20560159

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinylsulfinyl)-4-chlorobenzene?
The IUPAC name of 1-(benzenesulfinylsulfinyl)-4-chlorobenzene (CID 57199201) is 1-(benzenesulfinylsulfinyl)-4-chlorobenzene.
What is the SMILES notation for 1-(benzenesulfinylsulfinyl)-4-chlorobenzene?
The canonical SMILES for 1-(benzenesulfinylsulfinyl)-4-chlorobenzene is O=S(c1ccccc1)S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(benzenesulfinylsulfinyl)-4-chlorobenzene?
The InChIKey is KNOCCNLZBHXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(15)16(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfinylsulfinyl)-4-chlorobenzene?
1-(benzenesulfinylsulfinyl)-4-chlorobenzene has a molecular weight of 284.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinylsulfinyl)-4-chlorobenzene is sourced from PubChem (CID 57199201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).