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4,4'-Thiodianiline

CAT: 0572-TRC-T350330-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T350330-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139-65-1
Synonyms
Aniline, 4,4'-thiodi- (6CI,8CI); 4,4'-Thiobis[benzenamine]; 4,4'-Diaminodiphenyl sulfide; 4,4'-Diaminodiphenyl thioether; 4,4'-Diaminophenyl sulfide; 4,4'-Thiobis[aniline]; 4,4'-Thiodianiline; 4-(Aminophenylthio)phenylamine; BAPS; Bis(4-aminophenyl) sulfide; Di(p-aminophenyl) sulfide; NSC 6191; Thioaniline; Thiodi-p-phenylenediamine; p,p-Thiodianiline; p,p'-Diaminodiphenyl sulfide; p-Aminodiphenyl sulfide
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1ccc(Sc2ccc(N)cc2)cc1
Molecular Formula
C12 H12 N2 S
Molecular Weight
216.3
InChI
InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
Additionnal Information
IUPAC name: 4-(4-aminophenyl)sulfanylaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,4'-Thiodianiline

4,4'-Thiodianiline can cause cancer according to an independent committee of scientific and health experts.

CAS Number139-65-1
PubChem CID8765
IUPAC Name4-(4-aminophenyl)sulfanylaniline
Molecular FormulaC12H12N2S
Molecular Weight216.30
XLogP2.2
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity162
SMILES
C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
ICNFHJVPAJKPHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Thiodianiline
CAS: 139-65-1
CID: 8765
Formula: C12H12N2S
MW: 216.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.30
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass216.07211956
Monoisotopic Mass216.07211956
Topological Polar Surface Area77.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity162
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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CatalogName
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