Basic information
- CAS
61982-19-2- Standard SMILES
CCC1=NC(C)(C)c2ccccc2S1.Cl- InChIKey
SHGCPHBWLSSLOE-UHFFFAOYSA-N- Molecular formula
- C12H16ClNS
- Average molar mass
- 241.78 g/mol
- Monoisotopic mass
- 241.0691984
Names & identifiers
- Preferred name
- 4H-1,3-Benzothiazine, 2-ethyl-4,4-dimethyl-, hydrochloride
- IUPAC
- 2-ethyl-4,4-dimethyl-1,3-benzothiazine;hydrochloride
Names & synonyms
61982-19-24H-1,3-Benzothiazine, 2-ethyl-4,4-dimethyl-, hydrochlorideDTXSID904856052-Ethyl-4,4-dimethyl-4H-1,3-benzothiazine--hydrogen chloride (1/1)
Database identifiers
- CAS
61982-19-2- PubChem CID
- 12296232
- DTXSID
DTXSID90485605
Properties
Computed structural properties
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…