O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

Base Information

• Chemical Name: O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate
• CAS No.: 959246-33-4
• Molecular Formula: C13H10N4O2S3
• Molecular Weight: 350.43
• European Community (EC) Number: 686-235-5
• DSSTox Substance ID: DTXSID90674198
• Wikidata: Q76616358
• Mol file: 959246-33-4.mol

Synonyms:MAEM;SCHEMBL7494455;DTXSID90674198;84994-24-1;A839974;O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate;O-(1,3-benzothiazol-2-yl) 2-(2-aminothiazol-4-yl)-2-methoxyimino-ethanethioate;S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

Chemical Property of O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

Chemical Property:

• PSA: 171.92000
• LogP: 3.02200
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 349.99658910
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C1=CSC(=N1)N)C(=S)OC2=NC3=CC=CC=C3S2
• Isomeric SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=S)OC2=NC3=CC=CC=C3S2