Thiazole, 2-(1,3-benzodioxol-5-yl)-
Basic information
- CAS
248249-52-7- Standard SMILES
c1csc(-c2ccc3c(c2)OCO3)n1- InChIKey
VGRVWWKPZYSJTF-UHFFFAOYSA-N- Molecular formula
- C10H7NO2S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.01974964
Names & identifiers
- Preferred name
- Thiazole, 2-(1,3-benzodioxol-5-yl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-1,3-thiazole
Names & synonyms
248249-52-7Thiazole, 2-(1,3-benzodioxol-5-yl)-CW-2092922-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOLESCHEMBL6609887DTXSID40431172
Database identifiers
- CAS
248249-52-7- PubChem CID
- 9815643
- DTXSID
DTXSID40431172- Nikkaji
- J2.255.670C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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