2-Sulfobenzoic anhydride
PubChem CID: 65729
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| Compound Synonyms | 2-Sulfobenzoic anhydride, 81-08-3, 2-Sulfobenzoic acid cyclic anhydride, Sulfobenzoic anhydride, o-Sulfobenzoic acid anhydride, 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide, 3H-Benzo[c][1,2]oxathiol-3-one 1,1-dioxide, o-Sulfobenzoic anhydride, Benzoic acid, o-sulfo-, cyclic anhydride, o-Sulfobenzoic acid, cyclic anhydride, 2-Sulphobenzoic anhydride, Benzoic acid, 2-sulfo-, cyclic anhydride, 0SWH68IQ5W, MFCD00005879, NSC 11208, 2,1-Benzoxathiol-3-one-1,1-dioxide, 3H-2,1-benzoxathiol-3-one 1,1-dioxide, EINECS 201-322-6, NSC-11208, NSC-49162, 1,1-dioxo-2,1lambda6-benzoxathiol-3-one, DTXSID4038681, NSC11208, BENZOIC ACID,2-SULFO,ANHYDRIDE, 2-SULFOBENZOIC ACID CYCLOANHYDRIDE, 3H-2, 1,1-dioxide, 2-Sulfobenzoicanhydride, UNII-0SWH68IQ5W, Sulfobenzoicanhydride, SCHEMBL111049, 2-sulfobenzoic cyclic anhydride, DTXCID2018681, 1,1-dioxobenzo[c]oxathiol-3-one, BCP26935, NSC49162, o-Sulfobenzoic acid cyclic anhydride, AKOS000121535, FS-4037, FS32405, AC-18348, 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one, 3H-2,1lambda6-benzoxathiole-1,1,3-trione, CS-0066044, NS00038106, EN300-18015, D73341, Benzoic acid, o-sulfo-, cyclic anhydride (8CI), 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide (9CI), Q27037740, F0777-0781, 2-Sulfobenzoic acid cyclic anhydride, technical grade, 90%, 2-Sulfobenzoic acid cyclic anhydride, suitable for Hematology & Histology |
|---|---|
| Topological Polar Surface Area | 68.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dioxo-2,1lambda6-benzoxathiol-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C7H4O4S |
| Prediction Swissadme | 0.0 |
| Inchi Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.194 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.729 |
| Compound Name | 2-Sulfobenzoic anhydride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.983 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.983 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9692664 |
| Inchi | InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H |
| Smiles | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients