10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-diethylaminopropyl) ester, hydrochloride
Basic information
- CAS
63906-28-5- Standard SMILES
CCN(CC)CCCSC(=O)N1c2ccccc2Sc2cccnc21.Cl- InChIKey
XBIIBDDJYHRPHS-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3OS2
- Average molar mass
- 410 g/mol
- Monoisotopic mass
- 409.1049324
Names & identifiers
- Preferred name
- 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-diethylaminopropyl) ester, hydrochloride
- IUPAC
- S-[3-(diethylamino)propyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate;hydrochloride
Names & synonyms
D 29810H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-diethylaminopropyl) ester, hydrochloride63906-28-5DTXSID10213563RefChem:236026DTXCID40136054S-[3-(Diethylamino)propyl] 10H-pyrido[3,2-b][1,4]benzothiazine-10-carbothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
63906-28-5- PubChem CID
- 3048464
- DTXSID
DTXSID10213563
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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