2H-1,3-Benzothiazine, 2,4,4-triethyl-3,4-dihydro-, hydrochloride
Basic information
- CAS
61982-29-4- Standard SMILES
CCC1NC(CC)(CC)c2ccccc2S1.Cl- InChIKey
BPVYLZRSZAKTRR-UHFFFAOYSA-N- Molecular formula
- C14H22ClNS
- Average molar mass
- 271.8 g/mol
- Monoisotopic mass
- 271.1161486
Names & identifiers
- Preferred name
- 2H-1,3-Benzothiazine, 2,4,4-triethyl-3,4-dihydro-, hydrochloride
- IUPAC
- 2,4,4-triethyl-2,3-dihydro-1,3-benzothiazine;hydrochloride
Names & synonyms
61982-29-42H-1,3-Benzothiazine, 2,4,4-triethyl-3,4-dihydro-, hydrochlorideDTXSID204856132,4,4-Triethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
Database identifiers
- CAS
61982-29-4- PubChem CID
- 12296249
- DTXSID
DTXSID20485613
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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