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Reference substances

Reference substances

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General information

Inventory

EC number:
220-120-9
EC name:
1,2-benzisothiazol-3(2H)-one
CAS number:
2634-33-5

No inventory information available

Reference substance information

IUPAC name:
2,3-dihydro-1,2-benzothiazol-3-one
Synonyms
Names:
1,2-Benzisothiazol-3(2H)-one
Identifier:
CAS number
2634-33-5
Identifier:
IUPAC name
2,3-dihydro-1,2-benzothiazol-3-one
Identifier:
other: InChl
InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
Identifier:
other: SMILES notation
O=C1NSc2ccccc12
Identifier:
other: InChl
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
Identifier:
other: SMILES notation
S1NC(C2=C1C=CC=C2)=O
1,2-benzisothiazol-3(2H)-one

CAS information

CAS number:
2634-33-5

Molecular and structural information

Molecular formula:
C7H5NOS
Molecular weight:
151.186
SMILES notation:
O=C1NSc2ccccc12
InChl:
InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
Structural formula:
Chemical structure