Basic information
- CAS
6343-81-3- Standard SMILES
O=C1c2ccccc2S(=O)(=O)N1CCO- InChIKey
CJWAPCSQEWUZAE-UHFFFAOYSA-N- Molecular formula
- C9H9NO4S
- Average molar mass
- 227.24 g/mol
- Monoisotopic mass
- 227.02522894
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- 2-(2-hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
- English name
- 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
- Molecular formula
- C9H9NO4S
- Molecular weight
- 227.24
Names & synonyms
6343-81-32-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide2-(2-hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one2-(2-Hydroxyethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide2-(2-hydroxyethyl)-1,2-benzothiazol-3(2h)-one 1,1-dioxideNSC-497552-(2-hydroxyethyl)-2,3-dihydro-1??,2-benzothiazole-1,1,3-trione2-(2-hydroxyethyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trioneNSC49755EINECS 228-743-82-hydroxyethyl saccharineSH8P8G7KTE
Show more names
2-(2-hydroxyethyl)benzo[d]isothiazole-3(2H)-one 1,1-dioxide1,2-Benzisothiazol-3(2H)-one, 2-(2-hydroxyethyl)-, 1,1-dioxide2-(2-HYDROXYETHYL)-1,2-BENZOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE(WXG00164)
Oprea1_142670Oprea1_602634SCHEMBL9831972CHEMBL3360756DTXSID40212847CJWAPCSQEWUZAE-UHFFFAOYSA-NBBL025577NSC 49755
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 104 · 104-105 °C(Solv: methanol (67-56-1))
- Boiling point
- 454.2 · 454.2±47.0 °C(Predicted)
- Density
- 1.538 · 1.538±0.06 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.10(Predicted)
- FDA UNII
- 8 P8G7KTE · SH8P8G7KTE
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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