Basic information
- Standard SMILES
CCc1cc(N)cc2ncsc12- InChIKey
GRPLRZCUWJRQOR-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Names & identifiers
- Preferred name
- 7-Ethyl-5-aminobenzothiazole
- IUPAC
- 7-ethyl-1,3-benzothiazol-5-amine
Names & synonyms
196205-30-87-Ethyl-5-aminobenzothiazole5-Benzothiazolamine,7-ethyl-(9CI)7-ETHYL-1,3-BENZOTHIAZOL-5-AMINE5-Benzothiazolamine, 7-ethyl-SCHEMBL6789168GRPLRZCUWJRQOR-UHFFFAOYSA-NDB-284150
Database identifiers
- PubChem CID
- 22728029
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
8 records
Compound notes
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