2-[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid

Base Information

• Chemical Name: 2-[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
• CAS No.: 332383-09-2
• Molecular Formula: C12H12N2O3S2
• Molecular Weight: 296.37
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40357207
• Wikidata: Q82137012
• ChEMBL ID: CHEMBL406342
• Mol file: 332383-09-2.mol

Synonyms:332383-09-2;[(6-methyl-benzothiazol-2-ylcarbamoyl)-methyl-sulfanyl]-acetic acid;2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid;[(6-Methyl-benzothiazol-2-ylcarbamoyl)-methylsulfanyl]-acetic acid;2-((2-((6-Methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)thio)acetic acid;SBB028005;Oprea1_492716;Oprea1_861314;CHEMBL406342;DTXSID40357207;STK188452;AKOS000301426;FT-0644452;SR-01000317523;SR-01000317523-1;2-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)acetic acid;2-(2-(6-methylbenzo[d]thiazol-2-ylamino)-2-oxoethylthio)acetic acid;({2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)acetic acid;[(6-Methyl-benzothiazol-2-ylcarbamoyl)-methylsulfanyl]-acetic acid, AldrichCPR;2-({2-[(6-METHYL-1,3-BENZOTHIAZOL-2-YL)AMINO]-2-OXOETHYL}SULFANYL)ACETIC ACID;ACETIC ACID,2-[[2-[(6-METHYL-2-BENZOTHIAZOLYL)AMINO]-2-OXOETHYL]THIO]-

Chemical Property of 2-[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid

Chemical Property:

• Refractive Index: 1.727
• PSA: 132.83000
• Density: 1.502 g/cm³
• LogP: 2.43400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 296.02893460
• Heavy Atom Count: 19
• Complexity: 354

Purity/Quality:

98%min ^*data from raw suppliers

[(6-Methyl-benzothiazol-2-ylcarbamoyl)-methyl-sulfanyl]-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)O