Chelist Moleculee
JRC CODE:JRC-000339
cas:81-07-2
einecs:201-321-0
smiles:O=C1NS(=O)(=O)c2ccccc12
name:1,2-benzisothiazol-3(2H)-one 1,1-dioxide
MW:183.185
formula:C7H5NO3S
InChi:
InChiKey:
SMARTS:
Other names
Saccharine
1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole
1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
1,2-Dihydro-2-ketobenzisosulfonazole
2,3-Dihydro-1,2-benzisothiazol-3-one-1,1-dioxide
2,3-Dihydro-3-oxobenzisosulfonazole
3-Benzisothiazolinone 1,1-dioxide
3-Hydroxybenzisothiazole-S,S-dioxide
550 Saccharine
Anhydro-o-sulfaminebenzoic acid
Benzoic sulfimide
Benzoic sulphinide
Benzosulfimide
Benzosulfinide
Garantose
Glucid
Gluside
NSC 5349
Saccharimide
Saccharin
Saccharin acid
Saccharin insoluble
Saccharine
Saccharinol
Saccharinose
Saccharol
o-Benzoic acid sulfimide
o-Benzoic sulfimide
o-Benzosulfimide
o-Benzoyl sulfimide
o-Sulfobenzimide
o-Sulfobenzoic acid imide
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
1,2-Benzisothiazolin-3-one, 1,1-dioxide (8CI)

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (14803): Reach Registrations (Regulatory)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)