3161-57-7

Basic information

• Product Name: 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE
• Synonyms: 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE;3-HYDROXYMETHYL-2-BENZOTHIAZOLINETHIONE
• CAS NO: 3161-57-7
• Molecular Formula: C₈H₇NOS₂
• Molecular Weight: 197.27728
• Mol File: 3161-57-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 128-130 °C
• Boiling Point: 365.6±44.0 °C(Predicted)
• Appearance: /
• Density: 1.55±0.1 g/cm3(Predicted)
• PKA: 12.38±0.10(Predicted)
• CAS DataBase Reference: 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE(3161-57-7)
• EPA Substance Registry System: 3-HYDROXYMETHYL-1,3-BENZOTHIAZOLE-2-THIONE(3161-57-7)

Safety Data

• Hazardous Substances Data: 3161-57-7(Hazardous Substances Data)

Upstream product

• 149-30-4 2-thioxo-3H-1,3-benzothiazole 
• 50-00-0 formaldehyd 
• 149-30-4 2-Mercaptobenzothiazole 

Downstream Products

• 41526-42-5 3-chloromethyl-3H-benzothiazole-2-thione 
• 6957-11-5 3-Diethylaminomethyl-benzothiazolyl-2-thion 
• 27410-41-9 3-(4-morpholinomethyl)-1,3-benzothiazole-2(3H)-thione 
• 67726-22-1 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glycine 
• 67726-34-5 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-β-alanine 
• 67726-23-2 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glycine methyl ester 
• 67726-24-3 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glycine ethyl ester 
• 67726-35-6 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-β-alanine methyl ester 
• 67726-36-7 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-β-alanine ethyl ester 
• 67726-25-4 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glutamic acid 
• 67726-26-5 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glutamic acid dimethyl ester 
• 67726-27-6 N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-glutamic acid diethyl ester 
• 68542-34-7 N-pyrimidin-2-yl-4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzenesulfonamide 
• 68542-33-6 N-(4,6-dimethyl-pyrimidin-2-yl)-4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzenesulfonamide 

Relevant articles and documents

Application of ultrasound irradiation for the reactions of N-hydroxymethylation

A convenient and high yield method for the N-hydroxymethylation of substituted phthalimide and benzimidazole under ultrasound irradiation is reported.

Synthesis of 2-Thioxo-3-benzothiazolineacetonitrile and Related Products

Attempts to thermally rearrange 2-benzothiazolylthioacetonitrile (1) to the titled compound 8 failed.The reaction of 3-chloromethyl-2-benzothiazolinethione with potassium cyanide in dimethylformamide (DMF) or dimethylsulfoxide (DMSO) at 25-30 deg C afforded 8 in 98percent yield.Whereas replacing the DMF or DMSO solvent with acetone furnished the unexpected sulfide 9 in 92percent yield.Substituting 3-chloromethyl-2-benzoxazolinethione as the electrophile in the same reaction gave the sulfide 10 in 95percent yield.Possible mechanisms and supporting nmr data are discussed.