4,4'-Thiodianiline - analytical standard , CAS No.139-65-1

CAS: 139-65-1 Cat. No.: D101165 Formula: C₁₂H₁₂N₂S Peso molecolare: 216.3 Beilstein Registry Number: 1875513 Numero EC: 205-370-9

QUALITÀ & PUREZZA Analytical standard

Synonyms

4,4'-THIOBISBENZENAMINE|4,4'-Diamino diphenyl sulfide|4,4'-Diaminodiphenylsulfide|4-[(4-aminophenyl)sulfanyl]aniline|4,4/'-Thiodianiline|Aniline,4'-thiodi-|p,p'-Diaminodiphenyl sulphide|4,4'-Thiobis(aniline)|4-aminophenylsulfide|Bis(p-aminophenyl) sulfide|4,4'-Thioaniline|Bis(4-aminophenyl)sulphide|para,para'-Thiodianiline|Di(para-aminophenyl) sulphide|4,4'-Thiobis[aniline]|4,4'-THIODIANILINE [IARC]|Sulfide, bis(p-aminophenyl)|4-[(4-Aminophenyl)sulfanyl]phenylamine #|4,4'-Thiodianiline|4,4'-thio-dianiline|4,4-thiodianiline|4,4'-Diaminodiphenyl sulfide|Thiodi-p-phenylenediamine|4-[(4-aminophenyl)thio]aniline|p,p'-Thiodianiline|p,p-Thiodianiline|Sulfide, diphenyl, 4,4'-diamino-|Thioaniline|4-Aminophenyl Sulfide|Aniline, 4,4'-thiodi-|para,para'-Diaminodiphenyl sulphide|Bis(para-aminophenyl)sulphide|4,4'-sulfanediyldianiline|Thiodi-para-phenylenediamine|4-Aminophenylthioether|Benzenamine, 4,4'-thiobis-|Bis(4-aminophenyl) sulfide|4,4-Diaminodiphenyl sulphide|4,4'-Diaminophenyl sulfide|Bis(p-aminophenyl)sulfide|Bis(p-aminophenyl)sulphide|4-(4-aminophenyl)sulfanylaniline|4,4'-THIODIANILINE [HSDB]|Di(p-aminophenyl) sulfide|4,4 inverted exclamation mark -Thiodianiline|4,4'-Diaminodiphenylsulphide|Benzenamine,4'-thiobis-|p,p'-Diaminodiphenyl sulfide

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

4,4'-THIOBISBENZENAMINE | 4,4'-Diamino diphenyl sulfide | 4,4'-Diaminodiphenylsulfide | 4-[(4-aminophenyl)sulfanyl]aniline | 4,4/'-Thiodianiline | Aniline,4'-thiodi- | p,p'-Diaminodiphenyl sulphide | 4,4'-Thiobis(aniline) | 4-aminophenylsulfide | Bis(p-aminophenyl) sulfide | 4,4'-Thioaniline | Bis(4-aminophenyl)sulphide | para,para'-Thiod Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

528759405

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759405

Sorrisi canonici

C1=CC(=CC=C1N)SC2=CC=C(C=C2)N

IUPAC Name

4-(4-aminophenyl)sulfanylaniline

InChIKey

ICNFHJVPAJKPHW-UHFFFAOYSA-N

INCHI

1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

Isomeri SMILES

C1=CC(=CC=C1N)SC2=CC=C(C=C2)N

WGK Germania

3

RTECS

BY9625000

Peso molecolare

216.3

Beilstein

1875513

Reaxy-Rn

1875513

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875513&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Thiophenol ethers Aniline and substituted anilines Sulfenyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Aniline or substituted anilines - Thiophenol ether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: substituted aniline

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 105-107°C
• Peso molecolare: 216.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.072 Da
• Monoisotopic Mass: 216.072 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1