41663-73-4

Basic information

• Product Name: 2-AMINO-5-CHLOROTHIAZOLE
• Synonyms: 2-AMINO-5-CHLOROTHIAZOLE;5-Chloro-1,3-thiazol-2-amine;5-Chloro-2-thiazolamine;2-Amino-5-chloro-1,3-thiazole;2-Thiazolamine, 5-chloro-;5-Chloro-thiazol-2-ylaMine;5-chlorothiazol-2-aMine
• CAS NO: 41663-73-4
• Molecular Formula: C₃H₃ClN₂S
• Molecular Weight: 134.59
• Product Categories: Thiazoles
• Mol File: 41663-73-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 109-110 °C
• Boiling Point: 260.469 °C at 760 mmHg
• Flash Point: 111.328 °C
• Appearance: /
• Density: 1.441 (estimate)
• Vapor Pressure: 0.0122mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• PKA: 3.22±0.10(Predicted)
• CAS DataBase Reference: 2-AMINO-5-CHLOROTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-5-CHLOROTHIAZOLE(41663-73-4)
• EPA Substance Registry System: 2-AMINO-5-CHLOROTHIAZOLE(41663-73-4)

Safety Data

• Hazardous Substances Data: 41663-73-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 68, p. 453, 1946 DOI: 10.1021/ja01207a033

InChI:InChI=1/C3H3ClN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)

Upstream product

• 96-50-4 2-thiazolylamine 
• 3129-90-6 isothiocyanic acid 
• 55506-37-1 2-amino-5-chloro-thiazole hydrochloride 
• 619-33-0 dichloroacetaldehyde diethyl acetal 
• 17356-08-0 thiourea 
• 20256-39-7 N-(5-chlorothiazol-2-yl)acetamide 

Downstream Products

• 135718-56-8 2-Chloro-6-(4-chloro-3-nitro-phenyl)-imidazo[2,1-b]thiazole 
• 143951-28-4 2-chloro-6-(2,5-dimethoxyphenyl)imidazo<2,1-b>thiazole 
• 135718-53-5 2,6-dichloroimidazo[2,1-b][1,3]thiazole 
• 135718-55-7 6-Biphenyl-4-yl-2-chloro-imidazo[2,1-b]thiazole 
• 135718-54-6 2-Chloro-6-p-tolyl-imidazo[2,1-b]thiazole 
• 178449-60-0 2-chloro-6-p-chlorophenylimidazo[2,1-b]thiazole 
• 1169491-77-3 5-(4-fluorophenoxy)-2-thiazolamine 
• 1196875-81-6 C₂₈H₂₉ClN₄O₄S₂ 
• 1208552-93-5 C₁₅H₁₆Cl₂N₂OS 
• 1208552-86-6 C₁₄H₁₄Cl₂N₂OS 
• 16629-15-5 2-bromo-5-chloro-1,3-thiazole 

Relevant articles and documents

Trifluoroolefin compound with nematicidal activity as well as preparation method and application of trifluoroolefin compound

The invention relates to a trifluoroolefin-containing compound with nematicidal activity as well as a preparation method and application of the trifluoroolefin-containing compound. The invention discloses a compound with a formula (I) or an optical isomer, a cis-trans-isomer or an agricultural pharmacologically acceptable salt thereof, and a preparation method thereof. The compound has excellent nematicidal activity.

Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)PdII Complexes

The reaction of cis-[PdCl2(CNXyl)2] (Xyl = 2,6-Me2C6H3) with various 1,3-thiazol- and 1,3,4-thiadiazol-2-amines in chloroform gives a mixture of two regioisomeric binuclear diaminocarbene complexes. For 1,3-thiazol-2-amines the isomeric ratio depends on the reaction conditions and kinetically (KRs) or thermodynamically (TRs) controlled regioisomers were obtained at room temperature and on heating, respectively. In CHCl3 solutions, the isomers are subject to reversible isomerization accompanied by the cleavage of Pd-N and C-N bonds in the carbene fragment XylNCN(R)Xyl. Results of DFT calculations followed by the topological analysis of the electron density distribution within the formalism of Bader's theory (AIM method) reveal that in CHCl3 solution the relative stability of the regioisomers (ΔGexp = 1.2 kcal/mol; ΔGcalcd = 3.2 kcal/mol) is determined by the energy difference between two types of the intramolecular chalcogen bonds, viz. S?Cl in KRs (2.8-3.0 kcal/mol) and S?N in TRs (4.6-5.3 kcal/mol). In the case of the 1,3,4-thiadiazol-2-amines, the regioisomers are formed in approximately equal amounts and, accordingly, the energy difference between these species is only 0.1 kcal/mol in terms of ΔGexp (ΔGcalcd = 2.1 kcal/mol). The regioisomers were characterized by elemental analyses (C, H, N), HRESI+-MS and FTIR, 1D (1H, 13C{1H}) and 2D (1H,1H-COSY, 1H,1H-NOESY, 1H,13C-HSQC, 1H,13C-HMBC) NMR spectroscopies, and structures of six complexes (three KRs and three TRs) were elucidated by single-crystal X-ray diffraction.