2,2'-Diamino-4,4'-bithiazolyl

Inquiry

Molecular Formula:

C6H6N4S2

Molecular Weight:

198.26

CAS Number:

58139-59-6

Catalog Number:

58139-59-6

Product Information

Molecular Formula:

C6H6N4S2

Molecular Weight:

198.26

Description

2,2'-Diamino-4,4'-bithiazolyl is an immensely powerful substance widely adopted in the biomedical sector due to its remarkable anti-inflammatory attributes, serves as a pivotal agent for counteracting the detrimental effects associated with autoimmune disorders, notably including rheumatoid arthritis and multiple sclerosis. Evidencing a plethora of encouraging therapeutic possibilities, this unparalleled product serves as a formidable relief mechanism, skillfully ameliorating the distressing symptoms plaguing afflicted individuals.

Synonyms

2,2'-Diamino-4,4'-bis(1,3-thiazole)
4,4'-Bithiazole-2,2'-diamine

IUPAC Name

4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

Canonical SMILES

C1=C(N=C(S1)N)C2=CSC(=N2)N

InChI

InChI=1S/C6H6N4S2/c7-5-9-3(1-11-5)4-2-12-6(8)10-4/h1-2H,(H2,7,9)(H2,8,10)

InChI Key

MRFMTBTUKQIBDI-UHFFFAOYSA-N

Boiling Point

499.8±20.0 °C(Predicted)

Melting Point

250 °C(dec.)

Purity

>98.0%(T)(HPLC)

Density

1.590±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Refractive Index

1.62

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

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.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.00338856 g/mol

Monoisotopic Mass

198.00338856 g/mol

Topological Polar Surface Area

134Å²

Heavy Atom Count

Formal Charge

Complexity

150

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113978053-A	Environment-friendly wear-resistant automobile carpet and preparation method thereof	2021-12-14
CN-109338343-B	Chemical silver plating solution and silver plating method	2018-09-26
CN-109134454-B	Preparation method and application of bithiazole azo compound	2018-09-14
JP-2019073681-A	Resin composition and use thereof	2017-10-17
EP-3412734-A1	Dye compound, composition comprising the dye compound, and display device using the dye compound	2017-06-08
EP-3412734-B1	Dye compound, composition comprising the dye compound, and display device using the dye compound	2017-06-08
KR-20180134441-A	Dye compound, composition comprising the same, and display device using the dye compound	2017-06-08
US-10442931-B2	Dye compound, composition comprising dye compound, and display device using dye compound	2017-06-08
US-2018355179-A1	Dye compound, composition comprising dye compound, and display device using dye compound	2017-06-08
JP-2017203058-A	Imide crosslinkable resin, transparent film and surface protective film	2016-05-09

Literatures

PMID	Publication Date	Title	Journal
21669477	2011-09-01	Synthesis and structure of new bicopper(II) complexes bridged by N-(2- aminopropyl)-N'-(2-oxidophenyl)oxamide: the effects of terminal ligands on structures, anticancer activities and DNA-binding properties	European journal of medicinal chemistry
21754591	2011-06-01	Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)(pyridine-2,6-dicarboxyl-ato-κO,N,O)zinc tetra-hydrate	Acta crystallographica. Section E, Structure reports online
21580550	2010-03-27	[(E)-But-2-enoato-κO]chlorido(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)zinc(II) monohydrate	Acta crystallographica. Section E, Structure reports online
21580275	2010-02-27	Bis(μ-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate	Acta crystallographica. Section E, Structure reports online
21583303	2009-07-29	Bis(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)bis-(nitrato-κO)lead(II) dihydrate	Acta crystallographica. Section E, Structure reports online
21583318	2009-07-01	Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-κN,N')mercury(II) acetonitrile hemisolvate	Acta crystallographica. Section E, Structure reports online
21582740	2009-06-24	(2,9-Dimethyl-4,7-diphenyl-1,10-phen-anthroline-κN,N')bis-(thio-cyanato-κS)mercury(II)	Acta crystallographica. Section E, Structure reports online
21582094	2009-02-25	(2'-Amino-4,4'-bi-1,3-thia-zol-2-aminium-κN,N')aqua-[citrato(4-)-κO,O',O'')chromium(III) dihydrate	Acta crystallographica. Section E, Structure reports online
21582245	2009-02-25	2,2'-Diamino-4,4'-bi-1,3-thia-zolium bis-(3-nitro-benzoate)	Acta crystallographica. Section E, Structure reports online
21582064	2009-02-18	Tetra-aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)nickel(II) bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O)nickel(II) trihydrate	Acta crystallographica. Section E, Structure reports online

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