(6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid

Base Information

• Chemical Name: (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid
• CAS No.: 436088-91-4
• Molecular Formula: C11H10 N2 O3 S2
• Molecular Weight: 281.3313
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID80349560
• Wikidata: Q82124910
• ChEMBL ID: CHEMBL1597675
• Mol file: 436088-91-4.mol

Synonyms:436088-91-4;(6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid;2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetic acid;(6-acetylamino-benzothiazol-2-ylsulfanyl)acetic acid;2-((6-Acetamidobenzo[d]thiazol-2-yl)thio)acetic acid;{[6-(acetylamino)-1,3-benzothiazol-2-yl]thio}acetic acid;([6-(acetylamino)-1,3-benzothiazol-2-yl]thio)acetic acid;BAS 04080535;Acetic acid,2-[[6-(acetylamino)-2-benzothiazolyl]thio]-;Oprea1_441909;Oprea1_549462;MLS000073338;CHEMBL1597675;[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetic acid;DTXSID80349560;HMS2184E10;MFCD02800993;AKOS000300240;SMR000012720;SR-01000318670;SR-01000318670-1;(6-acetylaminobenzo[d]thiazol-2-ylsulfanyl)acetic acid;2-((6-Acetamidobenzo[d]thiazol-2-yl)thio)aceticacid;(6-acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid, AldrichCPR;2-{[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetic acid

Chemical Property of (6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 132.83000
• Density: g/cm³
• LogP: 2.50440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 282.01328453
• Heavy Atom Count: 18
• Complexity: 340

Purity/Quality:

98%min ^*data from raw suppliers

(6-Acetylamino-benzothiazol-2-ylsulfanyl)-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)O