3,4-Dimethyl-1,3-thiazol-3-ium iodide
Basic information
- CAS
24300-70-7- Standard SMILES
Cc1csc[n+]1C.[I-]- InChIKey
MJHRPWKNKAWBDQ-UHFFFAOYSA-M- Molecular formula
- C5H8INS
- Average molar mass
- 241.1 g/mol
- Monoisotopic mass
- 240.94222
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1,3-thiazol-3-ium iodide
- IUPAC
- 3,4-dimethyl-1,3-thiazol-3-ium iodide
- English name
- Thiazolium,3,4-dimethyl-, iodide (1:1)
- Molecular formula
- C5H8INS
- Molecular weight
- 241.09319
Names & synonyms
24300-70-73,4-Dimethyl-1,3-thiazol-3-ium iodideDTXSID60565180RefChem:271152DTXCID905159563,4-Dimethylthiazol-3-ium iodideCHEMBL3275135NSC126826NSC-126826THIAZOLIUM,3,4-DIMETHYL-, IODIDE (1:1)
Database identifiers
- CAS
24300-70-7- PubChem CID
- 14902173
- DTXSID
DTXSID60565180- ChEMBL
CHEMBL3275135
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.1
Physicochemical properties
- Melting point
- 117 · 117-118.5 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
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Compound notes
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