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4,4'-Sulfinyldianiline

CAT: 0931-T29424-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29424-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-59-5
Target
Others
Related Pathways
Others
Bioactivity
4,4'-Sulfinyldianiline is a biochemical.
Smiles
O=S(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2
Molecular Formula
C12H12N2OS
Molecular Weight
232.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-Sulfinyldianiline
CAS Number119-59-5
PubChem CID8402
IUPAC Name4-(4-aminophenyl)sulfinylaniline
Molecular FormulaC12H12N2OS
Molecular Weight232.30
XLogP1.3
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity219
SMILES
C1=CC(=CC=C1N)S(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
MITHMOYLTXMLRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Sulfinyldianiline
CAS: 119-59-5
CID: 8402
Formula: C12H12N2OS
MW: 232.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.30
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass232.06703418
Monoisotopic Mass232.06703418
Topological Polar Surface Area88.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity219
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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