4-[(4-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(4-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
• CAS No.: 312594-50-6
• Molecular Formula: C12H12 N2 O3 S
• Molecular Weight: 264.3
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID30353470
• Wikidata: Q82131079
• Mol file: 312594-50-6.mol

Synonyms:312594-50-6;4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid;N-(4-Methyl-benzothiazol-2-yl)-succinamic acid;n-(4-methylbenzothiazol-2-yl)succinamic acid;4-((4-Methylbenzo[d]thiazol-2-yl)amino)-4-oxobutanoic acid;Butanoic acid,4-[(4-methyl-2-benzothiazolyl)amino]-4-oxo-;CBMicro_033287;Oprea1_652515;Oprea1_704972;DTXSID30353470;3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid;AKOS000301376;BIM-0033290.P001;EU-0004598;SR-01000430568;J-018305;SR-01000430568-1;Z283687118;4-(4-methylbenzo[d]thiazol-2-ylamino)-4-oxobutanoic acid

Chemical Property of 4-[(4-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 107.53000
• Density: g/cm³
• LogP: 2.48100
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 264.05686342
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Methylbenzothiazol-2-yl)succinamicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)O