2,2'-dithiodianiline
Product Information
Molecular Formula
C12H12N2S2
Molecular Weight
248.37
Description
2,2'-dithiodianiline is mainly used in the biomedical field to study certain bacterial infections. Its unique chemical structure allows it to interact with specific bacterial enzymes, potentially disrupting their function, thereby aiding the development of new antibiotics.
Synonyms
2,2'-dithiobis(aniline); 2,2'-dithiobis-anilin; 2,2'-dithiobis-benzenamin; 2,2'-dithiodi-anilin; 2-[(2-Aminophenyl)disulfanyl]phenylamine; Aniline, 2,2'-dithiobis-
IUPAC Name
2-[(2-aminophenyl)disulfanyl]aniline
SMILES
C1=CC=C(C(=C1)N)SSC2=CC=CC=C2N
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
InChI Key
YYYOQURZQWIILK-UHFFFAOYSA-N
Boiling Point
398°C at 760 mmHg
Melting Point
91-92°C
Purity
98%
Density
1.34 g/cm3
Appearance
Light yellow to Amber to Dark green powder to crystal
Refractive Index
1.5700 (estimate)
Safety Information
Hazards
H315:
Causes skin irritation.
H318:
Causes serious eye damage.
Causes skin irritation.
H318:
Causes serious eye damage.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
248.04419074 g/mol
Monoisotopic Mass
248.04419074 g/mol
Topological Polar Surface Area
103Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
191
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113980270-A | Bismaleimide composite material based on disulfide bond and Diels-Alder reaction and preparation method thereof | 2021-12-01 |
| CN-113956438-A | Preparation method of bio-based self-repairing flame-retardant material with high dielectric property | 2021-11-22 |
| CN-113979966-A | Preparation method of 2-phenylbenzothiazole | 2021-11-16 |
| CN-113651984-A | High-stability polyurethane/quantum dot elastomer composite material and preparation method thereof | 2021-09-29 |
| CN-113801272-A | Self-healing ionic gel capable of being printed in 3D mode and preparation and application thereof | 2021-09-14 |
| CN-113637226-A | Bamboo charcoal-carbon black nano composite reinforcing agent, preparation method and application thereof | 2021-08-17 |
| CN-113621192-A | Preparation process of cold-resistant heat-resistant modified plastic particles | 2021-08-10 |
| CN-113801294-A | High-strength, wide-temperature-range and high-damping polyurethane elastomer material and preparation method thereof | 2021-08-10 |
| CN-113336604-A | Recyclable self-repairing elastic bio-based coating material and preparation method thereof | 2021-06-15 |
| CN-113372527-A | Preparation method of bionic room-temperature self-repairing polyurethane material | 2021-06-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22199751 | 2011-12-01 | 2-{[4-(Dimethyl-amino)-benzyl-idene]amino}-phenyl disulfide | Acta crystallographica. Section E, Structure reports online |
| 22199858 | 2011-12-01 | Bis[2-(benzyl-idene-amino)-phen-yl] disulfide | Acta crystallographica. Section E, Structure reports online |
| 21462977 | 2011-05-20 | Photoinduced intramolecular cyclization of o-ethenylaryl isocyanides with organic disulfides mediated by diphenyl ditelluride | The Journal of organic chemistry |
| 21589585 | 2010-11-27 | N,N'-Bis(3-phenyl-prop-2-en-1-yl-idene)-2,2'-disulfanediyldianiline | Acta crystallographica. Section E, Structure reports online |
| 21579727 | 2010-01-09 | 2,2'-Dithio-dianiline: a redetermination at 100 K | Acta crystallographica. Section E, Structure reports online |
| 21581617 | 2008-12-03 | N,N'-(2,2'-Dithiodi-o-phenyl-ene)bis-(furan-2-carboxamide) | Acta crystallographica. Section E, Structure reports online |
| 12698438 | 2003-04-14 | Formation, preservation, and cleavage of the disulfide bond by vanadium | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 12470073 | 2002-12-16 | Dinuclear oxidative addition of N-H and S-H bonds at chromium. Reaction of (*)Cr(CO)(3)(C(5)Me(5)) with [o-(HA)C(6)H(4)S-Cr(CO)(3)(C(5)Me(5))] (A = S, NH) yielding [eta(2)-o-(mu-A)C(6)H(4)S-Cr(C(5)Me(5))](2) and H-Cr(CO)(3)(C(5)Me(5)) | Inorganic chemistry |
| 18968282 | 2001-05-30 | Copper(II)-selective electrode using 2,2'-dithiodianiline as neutral carrier | Talanta |
| 9332831 | 1997-05-01 | 2,2'-Dithiobisbenzamides and 2-benzisothiazolones, two new classes of antiretroviral agents: SAR and mechanistic considerations | Drug design and discovery |
