2-Nitro-5-(6-ethoxybenzothiazol-2-ylthio)aniline
Basic information
- Standard SMILES
CCOc1ccc2nc(Sc3ccc([N+](=O)[O-])c(N)c3)sc2c1- InChIKey
QCZQAHNXRUQBHP-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3S2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.03983363
Names & identifiers
- Preferred name
- 2-Nitro-5-(6-ethoxybenzothiazol-2-ylthio)aniline
- IUPAC
- 5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-nitroaniline
Names & synonyms
SCHEMBL10964510QCZQAHNXRUQBHP-UHFFFAOYSA-N2-Nitro-5-(6-ethoxybenzothiazol-2-ylthio)aniline
Database identifiers
- PubChem CID
- 20400007
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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