3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide | CAS No. 90237-03-9

3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide

Basic Information

CAS Number

90237-03-9

Molecular Formula

C8H15N7O3S3

Molecular Weight

353.46 g/mol

AD

Basic Physical Properties

Melting Point

85-95°C dec.

Density

1.98±0.1 g/cm3 (20 ºC 760 Torr),

NC(N)=NC1=NC(CS(=O)CCC(N)=NS(N)(=O)=O)=CS1

InChI

InChI=1S/C8H15N7O3S3/c9-6(15-21(12,17)18)1-2-20(16)4-5-3-19-8(13-5)14-7(10)11/h3H,1-2,4H2,(H2,9,15)(H2,12,17,18)(H4,10,11,13,14)

InChIKey

LAZSSGBZNCVJCB-UHFFFAOYSA-N

LogP

-1.752499999999998

Topological Polar Surface Area

192.9 Ų

Hydrogen Bond Donor/Acceptor

8 / 10

Synonyms & References

English

  • 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine
  • Famotidine Sulfoxide (25 mg) (3-[[2-(diaminomethyleneamino)thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide)
  • 3-[[[2-[(AMinoiMinoMethyl)aMino]-4-thiazolyl]Methyl]sulfinyl]-N-(aMinosulfonyl)propaniMidaMide
  • PropaniMidaMide, 3-[[[2-[(aMinoiMinoMethyl)aMino]-4-thiazolyl]Methyl]sulfinyl]-N-(aMinosulfonyl)-
  • 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine Famotidine
  • [(2-Carbamimidamido-1,3-thiazol-4-yl)methyl][3-imino-3-(sulfamoyl amino)propyl]sulfoniumolate
  • 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine Famotidine Sulfoxide
  • 3-[[2-(Diaminomethyleneamino)thiazol-4-yl]methylsulfinyl]-N′-sulfamoylpropanimidamide
  • 3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]sulfinyl]-N-(aminosulfonyl)propanimidamide (ACI)
  • 3-(((2-Guanidinothiazol-4-yl)methyl)sulfinyl)-N-sulfamoylpropanimidamide
  • (Z)-3-(((2-((diaminomethylene)amino)thiazol-4-yl)methyl)sulfinyl)-N'-sulfamoylpropanimidamide

MDL Number

MFCD03788836

FAQ

What are the physical and chemical properties of 3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide (CAS: 90237-03-9)?

The compound has a crystalline form and a molecular weight of approximately 564.71 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound exhibits good reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations. It is stable under normal conditions but should be stored in a dry place away from moisture and heat.

How is 3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide (CAS: 90237-03-9) typically synthesized?

The compound is typically synthesized via a multi-step process involving the reaction of a thiazole derivative with a sulfamoyl chloride, followed by amidation. This process often requires the use of anhydrous conditions and appropriate catalysts to ensure high yield and selectivity. Detailed synthetic protocols are available in the literature and are essential for reproducibility and success.

What industries use 3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide (CAS: 90237-03-9)?

This compound has applications in the pharmaceutical industry, where it is used as an intermediate in drug synthesis. It may also find use in the polymer and sensor industries, potentially as a component in the development of new materials and sensing devices. Its unique chemical properties make it a valuable reagent in various research and commercial applications.

What precautions should be taken when handling 3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfinyl]-N'-sulfamoylpropanimidamide (CAS: 90237-03-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling this compound. It should be stored in a dry, well-ventilated area away from moisture and heat. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be referenced for detailed spill management procedures.

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