4H-1,3-Benzothiazine, 4,4-diethyl-2-methyl-, hydrochloride
Basic information
- CAS
58435-37-3- Standard SMILES
CCC1(CC)N=C(C)Sc2ccccc21.Cl- InChIKey
BHJSNHQPVKBXNC-UHFFFAOYSA-N- Molecular formula
- C13H18ClNS
- Average molar mass
- 255.81 g/mol
- Monoisotopic mass
- 255.0848484
Names & identifiers
- Preferred name
- 4H-1,3-Benzothiazine, 4,4-diethyl-2-methyl-, hydrochloride
- IUPAC
- 4,4-diethyl-2-methyl-1,3-benzothiazine;hydrochloride
Names & synonyms
58435-37-34H-1,3-Benzothiazine, 4,4-diethyl-2-methyl-, hydrochlorideDTXSID404821094,4-Diethyl-2-methyl-4H-1,3-benzothiazine--hydrogen chloride (1/1)
Database identifiers
- CAS
58435-37-3- PubChem CID
- 12243992
- DTXSID
DTXSID40482109
Properties
Computed structural properties
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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