Basic information
- CAS
820101-15-3- Standard SMILES
CCCCNc1nc2cccc([N+](=O)[O-])c2s1- InChIKey
CSKIBSCCBPOEGK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.07284784
Names & identifiers
- Preferred name
- N-Butyl-7-nitro-1,3-benzothiazol-2-amine
- IUPAC
- N-butyl-7-nitro-1,3-benzothiazol-2-amine
Names & synonyms
N-BUTYL-7-NITRO-1,3-BENZOTHIAZOL-2-AMINE820101-15-3DTXSID20839758
Database identifiers
- CAS
820101-15-3- PubChem CID
- 71420573
- DTXSID
DTXSID20839758- Nikkaji
- J2.116.636G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…