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4-Aminophenyl disulfide

CAT: 0862-GX5844-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GX5844-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
722-27-0
HS Code
2930909899
Purity
98.00%
Molecular Formula
C12H12N2S2
Molecular Weight
248.37
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

4-Aminophenyl disulfide
CAS Number722-27-0
PubChem CID12875
IUPAC Name4-[(4-aminophenyl)disulfanyl]aniline
Molecular FormulaC12H12N2S2
Molecular Weight248.4
XLogP3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity175
SMILES
C1=CC(=CC=C1N)SSC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
MERLDGDYUMSLAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminophenyl disulfide
CAS: 722-27-0
CID: 12875
Formula: C12H12N2S2
MW: 248.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass248.04419074
Monoisotopic Mass248.04419074
Topological Polar Surface Area103 Ų
Heavy Atom Count16
Formal Charge0
Complexity175
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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89994820-1kg4-Aminophenyl disulfide
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