2-Iodo-4-methylthiazole-5-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1205560-84-4- Standard SMILES
Cc1nc(I)sc1C(=O)O- InChIKey
TUMJYQHOKGECGP-UHFFFAOYSA-N- Molecular formula
- C5H4INO2S
- Average molar mass
- 269.06 g/mol
Names & identifiers
- Preferred name
- 2-Iodo-4-methylthiazole-5-carboxylic acid
- IUPAC
- 2-iodo-4-methyl-1,3-thiazole-5-carboxylic acid
- English name
- 2-Iodo-4-methylthiazole-5-carboxylic acid
- Molecular formula
- C5H4INO2S
- Molecular weight
- 269.06
Names & synonyms
2-Iodo-4-methylthiazole-5-carboxylic acid1205560-84-4MFCD22572498SCHEMBL34542502-Iodo-4-methylthiazole-5-carboxylicacidSY4739302-iodo-4-methyl-thiazole-5-carboxylic acidG690472-iodo-4-methyl-1,3-thiazole-5-carboxylic acidF9368975-Thiazolecarboxylic acid, 2-iodo-4-methyl-
Database identifiers
- CAS
1205560-84-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 402.8 · 402.8±37.0 °C(Predicted)
- Density
- 2.187 · 2.187±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 2.23 · 2.23±0.37(Predicted)
- Appearance
- White to off-white Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…