Basic information
- CAS
6622-75-9- Standard SMILES
CCC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
NCDUBBOHHQXHIQ-UHFFFAOYSA-N- Molecular formula
- C15H13NOS
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.07178521
Names & identifiers
- Preferred name
- 10-Propionylphenothiazine
- IUPAC
- 1-phenothiazin-10-ylpropan-1-one
- English name
- 10-propionylphenothiazine
- Molecular formula
- C15H13NOS
- Molecular weight
- 255.33
Names & synonyms
6622-75-9N-Propionyl Phenothiazine10-Propionylphenothiazine1-(10h-phenothiazin-10-yl)propan-1-one1-phenothiazin-10-ylpropan-1-oneN-PROPIONYLPHENOTHIAZINE1-(10H-Phenothiazin-10-yl)-1-propanone; 10-Propionylphenothiazine; N-(1-Oxopropyl)phenothiazine; N-Propionylphenothiazine; NSC 55093;NSC55093EINECS 229-574-2NSC 550931-Propanone,1-(10H-phenothiazin-10-yl)-SCHEMBL627575
Show more names
1-(10H-Phenothiazin-10-yl)-10-(1-Oxopropyl)-10H-phenothiazine1-(10H-Phenothiazin-10-yl)-1-propanone1-Propanone, 1-(10H-phenothiazin-10-yl)-
DTXSID90216416NCDUBBOHHQXHIQ-UHFFFAOYSA-NNSC-55093AKOS022193862DB-266552NS00035983F77701
Database identifiers
- CAS
6622-75-9- PubChem CID
- 81096
- DTXSID
DTXSID90216416- EC Number
- 229-574-2
- Nikkaji
- J225.219H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 91 · 91-92 °C(Solv: ethanol (64-17-5))
- Boiling point
- 476.9 · 476.9±15.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- solubility
- soluble in Acetone, Chloroform, DMSO, Ethyl Acetate
- form
- Solid
- pka
- -3.91 · -3.91±0.20(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 6622 · 6622-75-9
Chemistry & industry
Applications
UsesA novel Phenothiazine derivative as cholinesterase inhibitor.
UsesA novel Phenothiazine (P318040) derivative as cholinesterase inhibitor.
Suppliers14 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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