2-[(2-aminophenyl)disulfanyl]aniline

• ChemBase ID: 89179
• Molecular Formular: C12H12N2S2
• Molecular Mass: 248.36708
• Monoisotopic Mass: 248.04419039
• SMILES: S(c1c(cccc1)N)Sc1c(cccc1)N
• Canonical SMILES: Nc1ccccc1SSc1ccccc1N
• InChI: InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
• InChIKey: YYYOQURZQWIILK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminophenyl)disulfanyl]aniline
• IUPAC Traditional name: benzenamine, 2,2'-dithiobis-
• Synonyms: 2,2'-Diaminodiphenyldisulphide; Thulium Ionophore I; 2,2'-Disulfanediyldianiline; 2,2'-Dithiodianiline; 2,2'-Diaminodiphenyl disulfide; 2,2′-Diaminodiphenyl disulfide; 2,2′-Dithiodianiline; Bis(2-aminophenyl) disulfide; 2-Aminophenyl disulfide; 2,2′-Dithiodianiline; 2,2′-二硫代二苯胺; 铥离子载体 I; 2,2'-二氨基二苯基二硫; 2,2'-二硫代二苯胺; 双(2-氨基苯基)二硫; 二(邻氨基)苯基二硫; 2,2′-二氨基二苯二硫醚; 二(2-氨基苯基)二硫; 2,2′-二硫代二苯胺

Database IDs

• CAS Number: 1141-88-4
• EC Number: 214-529-1
• MDL Number: MFCD00007703
• Beilstein Number: 914032
• PubChem SID: 162076062; 24867388; 24850184
• PubChem CID: 14358

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9131675
• LogD (pH = 7.4): 2.9158587
• Log P: 2.915893
• Molar Refractivity: 71.861 cm^3
• Polarizability: 28.329348 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-95 °C; 91-92 °C(lit.); 91-92°C

Safety Information

• RTECS: BX9540000
• European Hazard Symbols: Nature polluting (N); Toxic (T); X
• German water hazard class: 2
• Risk Statements: 22-37/38-41; 25-41-50/53
• Safety Statements: 26-36/37/39-60; 26-39-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H335-H318; H301-H318-H410
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273-P280-P301 + P310-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (HPLC); 95+%; 97%
• Grade: Selectophore™; technical
• Quality: function tested
• Linear Formula: (H2NC6H4)2S2
• Empirical Formula (Hill Notation): C12H12N2S2

DETAILS

Sigma Aldrich - 166766

Packaging
10 g in glass bottle

Sigma Aldrich - 18266

Application
Tm(III) sensor1
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH