Basic information
- Standard SMILES
NC1=NC2(O)c3cc([N+](=O)[O-])ccc3CC2S1- InChIKey
MGJFKXDCKUSJHP-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3S
- Average molar mass
- 251.26 g/mol
- Monoisotopic mass
- 251.03646233
Names & identifiers
- Preferred name
- 2-Amino-5-nitro-8,8a-dihydroindeno[1,2-d]thiazol-3a-ol
- IUPAC
- 2-amino-7-nitro-3a,4-dihydroindeno[1,2-d][1,3]thiazol-8b-ol
Names & synonyms
SCHEMBL6249560MGJFKXDCKUSJHP-UHFFFAOYSA-N2-amino-5-nitro-8,8a-dihydroindeno[1,2-d]thiazol-3a-ol
Database identifiers
- PubChem CID
- 21995603
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Related reactions
1 records
Compound notes
Loading…