1,2-Benzisothiazol-3(2H)-one, 6-iodo-, 1,1-dioxide
Basic information
- CAS
119591-34-3- Standard SMILES
O=C1NS(=O)(=O)c2cc(I)ccc21- InChIKey
FUCBTVUAKSGITP-UHFFFAOYSA-N- Molecular formula
- C7H4INO3S
- Average molar mass
- 309.08 g/mol
- Monoisotopic mass
- 308.89566
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-3(2H)-one, 6-iodo-, 1,1-dioxide
- IUPAC
- 6-iodo-1,1-dioxo-1,2-benzothiazol-3-one
- English name
- 6-Iodo-1,2-benzisothiazol-3-(2H)-one 1,1-dioxide
- Molecular formula
- C7H4INO3S
- Molecular weight
- 309.08
Names & synonyms
119591-34-31,2-Benzisothiazol-3(2H)-one, 6-iodo-, 1,1-dioxide6-Iodobenzo[d]isothiazol-3(2H)-one 1,1-dioxide6-iodo-1,2-benzisothiazol-3-(2H)-one 1,1-dioxideMFCD124055556-iodo-1,1-dioxo-1,2-benzothiazol-3-one1,2-BENZISOTHIAZOL-3(2H)-ONE,6-IODO-, 1,1-DIOXIDESCHEMBL8699965SCHEMBL30873001DTXSID801021625UEA59134AKOS027470094
Show more names
Cefamandole Impurity 19-d56-Iodo-1,2-benzoisothiazole-3(2H)-one1,1-dioxide
AS-78125H11124F5334726-iodo-1,2-benzisothiazol-3(2H)-one 1,1-dioxide6-Iodo-1,2-benzisothiazole-3(2H)-one 1,1-dioxide
Database identifiers
- CAS
119591-34-3- PubChem CID
- 67666554
- DTXSID
DTXSID801021625- EC Number
- 192-780-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Density
- 2.212 · 2.212±0.06 g/cm3(Predicted)
- pka
- 1.18 · 1.18±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation No 844/2012
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…