Basic information
- CAS
63149-25-7- Standard SMILES
Cc1[se]c2ccccc2[n+]1CCC(C)S(=O)(=O)[O-]- InChIKey
JGGOQOPULSUBIT-UHFFFAOYSA-N- Molecular formula
- C12H15NO3SSe
- Average molar mass
- 332.29 g/mol
- Monoisotopic mass
- 332.99379
Names & identifiers
- Preferred name
- benzoselenazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt
- IUPAC
- 4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonate
- English name
- 2-methyl-3-(3-sulphonatobutyl)benzoselenazolium
- Molecular formula
- C12H15NO3SSe
- Molecular weight
- 332.2774
Names & synonyms
Benzoselenazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt63149-25-7EINECS 263-962-2Benzoselenazolium, 2-methyl-3-(3-sulfobutyl)-, hydroxide, inner saltRefChem:1185454-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonate2-Methyl-3-(3-sulphonatobutyl)benzoselenazoliumJGGOQOPULSUBIT-UHFFFAOYSA-NDTXSID701196861NS000880232-Methyl-3-(4-sulfonatobutyl)benzoselenazol-3-ium
Database identifiers
- CAS
63149-25-7- PubChem CID
- 112618
- DTXSID
DTXSID701196861- EC Number
- 263-962-2
Properties
Computed structural properties
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoselenazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt (63149-25-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoselenazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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