S-(1-(Di(propan-2-yl)amino)propan-2-yl) 10H-pyrido(3,2-b)(1,4)benzothiazine-10-carbothioate--hydrogen chloride (1/1)
Basic information
- CAS
63906-31-0- Standard SMILES
CC(CN(C(C)C)C(C)C)SC(=O)N1c2ccccc2Sc2cccnc21.Cl- InChIKey
JEBZXFIOPYWIRH-UHFFFAOYSA-N- Molecular formula
- C21H28ClN3OS2
- Average molar mass
- 438.1 g/mol
- Monoisotopic mass
- 437.1362326
Names & identifiers
- Preferred name
- S-(1-(Di(propan-2-yl)amino)propan-2-yl) 10H-pyrido(3,2-b)(1,4)benzothiazine-10-carbothioate--hydrogen chloride (1/1)
- IUPAC
- S-[1-[di(propan-2-yl)amino]propan-2-yl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate;hydrochloride
- English name
- 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbothioic acid, S-[2-[bis(1-methylethyl)amino]-1-methylethyl] ester, hydrochloride (1:1)
- Molecular formula
- C21H28ClN3OS2
- Molecular weight
- 438.05
Names & synonyms
63906-31-0DTXSID20980931S-(1-(Di(propan-2-yl)amino)propan-2-yl) 10H-pyrido(3,2-b)(1,4)benzothiazine-10-carbothioate--hydrogen chloride (1/1)S-{1-[Di(propan-2-yl)amino]propan-2-yl} 10H-pyrido[3,2-b][1,4]benzothiazine-10-carbothioate--hydrogen chloride (1/1)RefChem:1098208DTXCID901408204D71410H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-((2-diisopropylamino-1-methyl)ethyl) ester, hydrochlorideS-(1-(Diisopropylamino)propan-2-yl) 10H-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbothioate hydrochlorideS-[1-[di(propan-2-yl)amino]propan-2-yl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate;hydrochlorideD 714orb1697603
Show more names
10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbothioic acid, S-[2-[bis(1-methylethyl)amino]-1-methylethyl] ester, hydrochloride (1:1)
AKOS040751375T31171
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 652mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 652mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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