S-1,3-Benzothiazol-2-yl hydrogen carbonothioate

Base Information

• Chemical Name: S-1,3-Benzothiazol-2-yl hydrogen carbonothioate
• CAS No.: 112923-20-3
• Molecular Formula: C8H5 N O2 S2
• Molecular Weight: 211.2608
• DSSTox Substance ID: DTXSID50595719
• Wikidata: Q82490790
• Mol file: 112923-20-3.mol

Synonyms:112923-20-3;1,3-benzothiazol-2-ylsulfanylformic acid;Carbonothioic acid, S-2-benzothiazolyl ester (9CI);S-1,3-Benzothiazol-2-yl hydrogen carbonothioate;SCHEMBL3194198;DTXSID50595719

Chemical Property of S-1,3-Benzothiazol-2-yl hydrogen carbonothioate

Chemical Property:

• PSA: 103.73000
• LogP: 3.06640
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.97617075
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SC(=O)O

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