Bis (4-iodophenyl) sulfoxide

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CAS Number

647829-43-4

Synonyms

4,4'-Sulfinylbis (iodobenzene), 1-Iodo-4- (4-iodophenyl) sulfinylbenzene, 1,1'-Sulfinylbis (4-iodobenzene)

MDL Number

MFCD32876788

Purity

97%

Smiles

O=S(C1=CC=C(I)C=C1)C2=CC=C(I)C=C2

Storage Conditions

Store at 0-8°C

Chemical Information

Bis(4-iodophenyl) sulfoxide

CAS Number	647829-43-4
PubChem CID	22336478
IUPAC Name	1-iodo-4-(4-iodophenyl)sulfinylbenzene
Molecular Formula	C12H8I2OS
Molecular Weight	454.07
XLogP	4
Topological Polar Surface Area	36.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	219

SMILES

C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)I)I

InChI

InChI=1S/C12H8I2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

InChIKey

BVNAGZDWGFKCKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 647829-43-4

CID: 22336478

Formula: C12H8I2OS

MW: 454.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	454.07
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	453.83853
Monoisotopic Mass	453.83853
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1063778	Bis (4-iodophenyl) sulfane
OR1069077-01	Bis (4-iodophenyl) methanone
OR13098	Bis (4-iodophenyl) acetylene
OR96388-01	Bis (4-iodophenyl) amine
PC19692	Bis (4-trifluoromethylphenyl) sulfoxide
OR90487-01	4- (bis (4-Iodophenyl) amino) benzaldehyde
OR1060975-01	1,2-Bis (4-iodophenyl) diazene
OR15577	4,5-Bis (4-methoxyphenyl) -2- (4-iodophenyl) -1H-imidazole
OR1043121-01	4,4'-Bipyridinium, 1,1'-bis (4-iodophenyl) -, chloride (1:2)
PC109030-01	Bis (3,5-Difluorophenyl) Sulfoxide

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