Basic information
- Standard SMILES
CCNC1CCc2nc(N)sc2C1- InChIKey
AXRIBUURQVTZPJ-UHFFFAOYSA-N- Molecular formula
- C9H15N3S
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 197.09866866
Names & identifiers
- Preferred name
- 6-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
- IUPAC
- 6-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Names & synonyms
SCHEMBL7859028
Database identifiers
- PubChem CID
- 13670710
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
1 records
Compound notes
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