Benzothiazolium, 3-methyl-2-(methylthio)-, iodide (1:1)
Basic information
- CAS
20064-98-6- Standard SMILES
CSc1sc2ccccc2[n+]1C.[I-]- InChIKey
RKIVJTIIEWIWTN-UHFFFAOYSA-M- Molecular formula
- C9H10INS2
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 322.92994
Names & identifiers
- Preferred name
- Benzothiazolium, 3-methyl-2-(methylthio)-, iodide (1:1)
- IUPAC
- 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium iodide
- English name
- 1-Methyl-2-methylthio-benzthiazolium-iodide
- Molecular formula
- C9H10INS2
- Molecular weight
- 323.22
Names & synonyms
20064-98-6RefChem:566352Benzothiazolium, 3-methyl-2-(methylthio)-, iodide (1:1)3-methyl-2-(methylthio)benzo[d]thiazol-3-ium iodideBENZOTHIAZOLIUM, 3-METHYL-2-METHYLTHIO-, IODIDE1-METHYL-2-METHYLTHIO-BENZTHIAZOLIUM-IODIDE3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium;iodideMFCD001361122-Methylthio-3-methylbenzothiazolium iodide3-methyl-2-(methylthio)-benzothiazolium iodide3-methyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium iodide3-Methyl-2-methylthiobenzothiazolium iodide
Show more names
3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium,iodide
2-Methylmercaptobenzothiazole N-methiodideC9H10INS2SCHEMBL7335651SCHEMBL7335654DTXSID90942081AKOS003627205G666113-methyl-2-(methylsulfanyl)-benzothiazolium iodide
Database identifiers
- CAS
20064-98-6- PubChem CID
- 29931
- DTXSID
DTXSID90942081- EC Number
- 102-997-9
Properties
Computed structural properties
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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