Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
1,2-benzisothiazolin-3-one 2634-33-5 17520
Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=O)NS2
Iso SMILES C1=CC=C2C(=C1)C(=O)NS2
InChI InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChI Key DMSMPAJRVJJAGA-UHFFFAOYSA-N
Formula C7H5NOS
Mol Weight 151.186
XlogP3 1.3
Charge 0

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Synonyms Information
CAS Name 1,2-benzothiazol-3-one
IUPAC Name 1,2-benzothiazol-3-one
Openeye Name 1,2-benzothiazol-3-one
Systematic Name 1,2-benzothiazol-3-one
Tratitional Name 1,2-benzothiazol-3-one