Basic information
- CAS
5284-73-1- Standard SMILES
COS(=O)(=O)[O-].C[n+]1csc2ccccc21- InChIKey
QPTHLIIYYVUGSV-UHFFFAOYSA-M- Molecular formula
- C9H11NO4S2
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.01295018
Names & identifiers
- Preferred name
- Benzothiazolium, 3-methyl-, methyl sulfate (1:1)
- IUPAC
- 3-methyl-1,3-benzothiazol-3-ium;methyl sulfate
- English name
- methyl 3-methylbenzothiazolium sulphate
- Molecular formula
- C8H8NS.CH3O4S
- Molecular weight
- 261.32
Names & synonyms
Benzothiazolium, 3-methyl-, methyl sulfate5284-73-1DTXSID8063757EINECS 226-115-8Benzothiazolium, 3-methyl-, methyl sulfate (1:1)RefChem:118657DTXCID00413093-methyl-1,3-benzothiazol-3-ium methyl sulfateMethyl 3-methylbenzothiazolium sulphateSCHEMBL14871609QPTHLIIYYVUGSV-UHFFFAOYSA-MNS00044860
Show more names
3-methylbenzothiazolinium methyl sulfate
Database identifiers
- CAS
5284-73-1- PubChem CID
- 79164
- DTXSID
DTXSID8063757- EC Number
- 226-115-8
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 122 · 122-124 °C (decomp)(Solvent: Methanol)
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-methyl-, methyl sulfate (5284-73-1)
- 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 InformationBenzothiazolium, 3-methyl-, methyl sulfate (1:1): INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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