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Isothiocyanatophenyl sulfone

CAT: 0024-sc-286032Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-286032Size:1 g
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CAS Number
4430-49-3

Chemical Information

1,1'-Sulfonylbis[4-isothiocyanatobenzene]
CAS Number4430-49-3
PubChem CID284732
IUPAC Name1-isothiocyanato-4-(4-isothiocyanatophenyl)sulfonylbenzene
Molecular FormulaC14H8N2O2S3
Molecular Weight332.4
XLogP5.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity497
SMILES
C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)N=C=S
InChI
InChI=1S/C14H8N2O2S3/c17-21(18,13-5-1-11(2-6-13)15-9-19)14-7-3-12(4-8-14)16-10-20/h1-8H
InChIKey
PQCJXOVOHXALIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-Sulfonylbis[4-isothiocyanatobenzene]
CAS: 4430-49-3
CID: 284732
Formula: C14H8N2O2S3
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass331.97479102
Monoisotopic Mass331.97479102
Topological Polar Surface Area131 Ų
Heavy Atom Count21
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1022168Isothiocyanatophenyl sulfone
AR-P31252-01(4-Isothiocyanatophenyl) -Phenylamine
0152064-Isothiocyanatophenyl α-Nigeroside
OR10217254-Isothiocyanatophenyl ether
FI122627-01(4-Isothiocyanatophenyl) phenylamine
293730-014-Isothiocyanatophenyl-a-D-glucopyranoside
MBS6095305-014-Isothiocyanatophenyl alpha-Nigeroside
GC6661-25mg4-Isothiocyanatophenyl α-D-galactopyranoside
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