4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione

HCID 1486522CAS 80563-77-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1NS(=O)(=O)c2cccc(O)c21
InChIKey
XAPBTHFURNHTFN-UHFFFAOYSA-N
Molecular formula
C7H5NO4S
Average molar mass
199.19 g/mol
Monoisotopic mass
198.99392881

Names & identifiers

Preferred name
4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
IUPAC
4-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
English name
4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Molecular formula
C7H5NO4S
Molecular weight
199.18

Names & synonyms

80563-77-54-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trioneDTXSID10363355RefChem:293130DTXCID503144024-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one4-Hydroxybenzo[d]isothiazol-3(2H)-one 1,1-dioxidepropoxycarbazone-sodium TP2Oprea1_764307M08 (4-hydroxy saccharin)SCHEMBL7381362XAPBTHFURNHTFN-UHFFFAOYSA-N
Show more names
4-hydroxy-1,2-Benzisothiazol-3(2H)-one1,1-dioxide1,2-Benzisothiazol-3(2H)-one, 4-hydroxy-, 1,1-dioxide
MFCD01936081AKOS005079791MB02181FH154298SY491363DB-075691CS-0109754NS00067671

Database identifiers

CAS
80563-77-5
PubChem CID
1486522
DTXSID
DTXSID10363355

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

storage temp.
2 · 2-8°C

Safety & regulation

Hazard information

Regulatory InformationCommission Regulation No 844/2012

Regulatory information

Regulatory InformationCommission Regulation No 844/2012

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Suppliers7 total

Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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