2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
PubChem CID: 27290
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| Compound Synonyms | N-Methylsaccharin, 15448-99-4, 2-Methylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-methyl-1,1-dioxo-1,2-benzothiazol-3-one, 2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, MFCD00059263, NSC 39120, T63VBY3AYH, CHEMBL131790, NSC-39120, 1,2-Benzisothiazolin-3-one, 2-methyl-, 1,1-dioxide, 2-Methyl-1,2-benzisothiazole-3(2H)-one-1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide, UNII-T63VBY3AYH, Methylsaccharin, methyl saccharine, NSC39120, EINECS 239-466-7, AI3-23674, 2-Methyl-1,1-dioxide, triflusulfuron-methyl TP1, SCHEMBL107126, 2-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 1, 2-methyl-, 1,1-dioxide, DTXSID10165639, BDBM50496471, STL293362, AKOS016011169, DS-6404, SY053783, DB-007773, CS-0151203, M0427, NS00025020, 2-methyl-1,1-dioxo-benzo[d]isothiazol-3-one, D78426, Q27289719, 2-methyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione, 2-methyl-2,3-dihydro-1lambda,2-benzothiazole-1,1,3-trione, 2-Methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O43570, Q16790, P00918, P00915 |
| Iupac Name | 2-methyl-1,1-dioxo-1,2-benzothiazol-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT948, NPT233 |
| Xlogp | 0.6 |
| Molecular Formula | C8H7NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDIIAJRLFATEEE-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.049 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.187 |
| Compound Name | 2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.015 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.015 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 197.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7759714615384614 |
| Inchi | InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3 |
| Smiles | CN1C(=O)C2=CC=CC=C2S1(=O)=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all