S-(2-Benzothiazolyl)cysteine

Base Information

• Chemical Name: S-(2-Benzothiazolyl)cysteine
• CAS No.: 399-82-6
• Molecular Formula: C10H10 N2 O2 S2
• Molecular Weight: 254.33
• DSSTox Substance ID: DTXSID30192947
• Nikkaji Number: J388.057E
• Wikidata: Q83065632
• ChEMBL ID: CHEMBL2074983
• Mol file: 399-82-6.mol

Synonyms:S-(2-benzothiazolyl)-L-cysteine;S-(2-benzothiazolyl)cysteine

Chemical Property of S-(2-Benzothiazolyl)cysteine

Chemical Property:

• Vapor Pressure: 2.58E-09mmHg at 25°C
• Boiling Point: 461.5°Cat760mmHg
• Flash Point: 232.9°C
• PSA: 129.75000
• Density: 1.5g/cm³
• LogP: 2.50060
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 254.01836991
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

98%min ^*data from raw suppliers

S-2-Benzothiazolyl-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SCC(C(=O)O)N
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)SC[C@@H](C(=O)O)N
• Uses: S-2-Benzothiazolyl-L-cysteine (BTC) is a poor substrate for purified glutamine transaminase K from mitochondria and cytosol.