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
Canonical 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
398ºC at 760 mmHg
Melting Point
91-92ºC
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.
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].

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
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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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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