N6-Ethyl-4,5,6,7-tetrahydro-N2-methyl-2,6-benzothiazolediamine
Basic information
- CAS
104617-92-7- Standard SMILES
CCNC1CCc2nc(NC)sc2C1- InChIKey
NEAPRIVRBPCNDG-UHFFFAOYSA-N- Molecular formula
- C10H17N3S
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.11431873
Names & identifiers
- Preferred name
- N6-Ethyl-4,5,6,7-tetrahydro-N2-methyl-2,6-benzothiazolediamine
- IUPAC
- 6-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Names & synonyms
DTXSID601177202N6-Ethyl-4,5,6,7-tetrahydro-N2-methyl-2,6-benzothiazolediamine104617-92-7N~6~-Ethyl-N~2~-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Database identifiers
- CAS
104617-92-7- PubChem CID
- 13670733
- DTXSID
DTXSID601177202
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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