2,3,4-Triiodo-5-methylthiophene
Basic information
- CAS
16494-47-6- Standard SMILES
Cc1sc(I)c(I)c1I- InChIKey
NQBCKNJUFIORRR-UHFFFAOYSA-N- Molecular formula
- C5H3I3S
- Average molar mass
- 475.86 g/mol
- Monoisotopic mass
- 475.709
Names & identifiers
- Preferred name
- 2,3,4-Triiodo-5-methylthiophene
- IUPAC
- 2,3,4-triiodo-5-methylthiophene
- English name
- 2,3,4-triiodo-5-methylthiophene
- Molecular formula
- C5H3I3S
- Molecular weight
- 475.86
Names & synonyms
2,3,4-TRIIODO-5-METHYLTHIOPHENE16494-47-6DTXSID00549904RefChem:244032DTXCID70500688Thiophene, 2,3,4-triiodo-5-methyl-SCHEMBL184989983,4,5-triiodo-2-methylthiopheneAKOS015911768
Database identifiers
- CAS
16494-47-6- PubChem CID
- 13802201
- DTXSID
DTXSID00549904
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 98 · 98-100 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 365.1 · 365.1±42.0 °C(Predicted)
- Density
- 2.948 · 2.948±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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