1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene

C12H8Cl2OS2 — CID 12641324

IUPAC1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene
SMILESO=S(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS2/c13-9-1-5-11(6-2-9)16-17(15)12-7-3-10(14)4-8-12/h1-8H
InChIKeyIJJBOECGHNEXKG-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.81
Rot. Bonds3

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

1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene (PubChem CID 12641324) has the molecular formula C12H8Cl2OS2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene
PubChem CID12641324
Molecular FormulaC12H8Cl2OS2
Molecular Weight303.24 g/mol
Exact Mass301.94
IUPAC Name1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene
SMILESO=S(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS2/c13-9-1-5-11(6-2-9)16-17(15)12-7-3-10(14)4-8-12/h1-8H
InChIKeyIJJBOECGHNEXKG-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene (CID 12641324) is 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene is O=S(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene?
The InChIKey is IJJBOECGHNEXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS2/c13-9-1-5-11(6-2-9)16-17(15)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene?
1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene has a molecular weight of 303.24 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)sulfinylsulfanylbenzene is sourced from PubChem (CID 12641324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).