Basic information
- Standard SMILES
CCNC(=O)Nc1nc2ccc([N+](=O)[O-])c(O)c2s1- InChIKey
SPARCVWSOKHUDW-UHFFFAOYSA-N- Molecular formula
- C10H10N4O4S
- Average molar mass
- 282.28 g/mol
Names & identifiers
- Preferred name
- 1-(7-Hydroxy-6-nitro-2-benzothiazolyl)-3-ethyl-urea
- IUPAC
- 1-ethyl-3-(7-hydroxy-6-nitro-1,3-benzothiazol-2-yl)urea
Names & synonyms
SCHEMBL6067875SPARCVWSOKHUDW-UHFFFAOYSA-N1-(7-Hydroxy-6-nitro-2-benzothiazolyl)-3-ethyl-urea
Database identifiers
- PubChem CID
- 21985642
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
1 records
Compound notes
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