(5-Hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate

Base Information

• Chemical Name: (5-Hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate
• CAS No.: 90418-62-5
• Molecular Formula: C9H6N2OS2
• Molecular Weight: 222.3
• DSSTox Substance ID: DTXSID50663285
• Wikidata: Q82581240
• Mol file: 90418-62-5.mol

Synonyms:90418-62-5;(5-hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate;DTXSID50663285;Thiocyanic acid,(5-hydroxy-2-benzothiazolyl)methyl ester(7ci)

Chemical Property of (5-Hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.99215517
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)N=C(S2)CSC#N

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