Basic information
- CAS
3687-07-8- Standard SMILES
Nc1ccc(C2N=NC(=S)O2)c(O)c1- InChIKey
SJWGKGMORFMYKH-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2S
- Average molar mass
- 209.23 g/mol
- Monoisotopic mass
- 209.02589765
Names & identifiers
- Preferred name
- delta(sup 2)-1,3,4-Oxadiazoline-5-thione, 2-(4-amino-2-hydroxyphenyl)-
- IUPAC
- 2-(4-amino-2-hydroxyphenyl)-2H-1,3,4-oxadiazole-5-thione
Names & synonyms
3687-07-8delta(sup 2)-1,3,4-OXADIAZOLINE-5-THIONE, 2-(4-AMINO-2-HYDROXYPHENYL)-RefChem:10830981,3,4-Oxadiazole-2(3H)-thione, 5-(4-amino-2-hydroxyphenyl)-WS 128DTXSID709580642-(4-Amino-2-hydroxyphenyl)-delta(sup 2)-1,3,4-oxadiazoline-5-thione5-(4-Amino-2-hydroxyphenyl)-1,3,4-oxadiazole-2(5H)-thione
Database identifiers
- CAS
3687-07-8- PubChem CID
- 19385
- DTXSID
DTXSID70958064
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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