5,6-Diaminobenzothiazolinone

Base Information

• Chemical Name: 5,6-Diaminobenzothiazolinone
• CAS No.: 120791-35-7
• Molecular Formula: C7H7 N3 O S
• Molecular Weight: 181.21
• DSSTox Substance ID: DTXSID30400630
• Wikidata: Q82203636
• Mol file: 120791-35-7.mol

Synonyms:5,6-DIAMINOBENZOTHIAZOLINONE;120791-35-7;2(3H)-Benzothiazolone,5,6-diamino-;5,6-diamino-3H-1,3-benzothiazol-2-one;5,6-Diamino-1,3-benzothiazol-2(3H)-one;SCHEMBL9832347;DTXSID30400630;AKOS006292918;FT-0666356;5,6-diamino-2,3-dihydro-1,3-benzothiazol-2-one;J-004398

Chemical Property of 5,6-Diaminobenzothiazolinone

Chemical Property:

• PKA: 9.95±0.20(Predicted)
• PSA: 113.14000
• Density: 1.574±0.06 g/cm3(Predicted)
• LogP: 1.91640
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.03098303
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

98%Min ^*data from raw suppliers

5,6-Diaminobenzothiazolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC2=C1NC(=O)S2)N)N