CAS 1141-88-4|benzenamine, 2,2'-dithiobis-|2,2'-Diaminodiphenyldisulphide|2-[(2-aminophenyl)disulfanyl]aniline|2,2′-Diaminodiphenyl disulfide|Bis(2-aminophenyl) disulfide|2,2'-二硫代二苯胺|2-Aminop...

General Information

Structure

Molecular Formula

C₁₂H₁₂N₂S₂

Molecular Mass

248.36708

Exact Mass

248.04419039

Charge

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

Canonic Smiles

Nc1ccccc1SSc1ccccc1N

Isomeric Smiles

S(c1c(cccc1)N)Sc1c(cccc1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9131675

LogD (pH = 7.4)

2.9158587

Log P

2.915893

Molar Refractivity

71.861

Polarizability

28.329348

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

benzenamine, 2,2'-dithiobis-

Synonyms

2,2'-Diaminodiphenyldisulphide2,2′-Diaminodiphenyl disulfideBis(2-aminophenyl) disulfide2,2'-二硫代二苯胺2-Aminophenyl disulfide2,2′-Dithiodianiline双(2-氨基苯基)二硫二(邻氨基)苯基二硫2,2'-二氨基二苯基二硫2,2′-Dithiodianiline2,2′-二硫代二苯胺2,2'-Dithiodianiline铥离子载体 I二(2-氨基苯基)二硫2,2′-二硫代二苯胺Thulium Ionophore I2,2'-Diaminodiphenyl disulfide2,2'-Disulfanediyldianiline2,2′-二氨基二苯二硫醚

IUPAC name

2-[(2-aminophenyl)disulfanyl]aniline

Names and Identifiers

Registration numbers

CAS Number

1141-88-4

MDL Number

MFCD00007703

Beilstein Number

914032

PubChem SID

2486738824850184162076062

EC Number

214-529-1

PubChem CID

14358

Registration numbers

Properties

Physical Property

91-92 °C(lit.)

90-95 °C

91-92°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

166766

Packaging
10 g in glass bottle

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

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

benzenamine, 2,2'-dithiobis-

Synonyms

IUPAC name

2-[(2-aminophenyl)disulfanyl]aniline

Registration numbers

CAS Number

1141-88-4

MDL Number

MFCD00007703

Beilstein Number

914032

PubChem SID

2486738824850184162076062

EC Number

214-529-1

PubChem CID

14358

Molecule Details

Sigma Aldrich

166766

Packaging
10 g in glass bottle

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

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Physical Property

91-92 °C(lit.)

90-95 °C

91-92°C

Molecule

ID:89179