Phenothiazine, 2-chloro-10-(2-(dimethylamino)ethylthio)acetyl-, hydrochloride

HCID 199535

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Basic information

CAS: 4377-16-6
Standard SMILES: CN(C)CCSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIKey: OVNYMFQTOAFNDR-UHFFFAOYSA-N
Molecular formula: C18H20Cl2N2OS2
Average molar mass: 415.4 g/mol
Monoisotopic mass: 414.039411

Names & identifiers

Preferred name: Phenothiazine, 2-chloro-10-(2-(dimethylamino)ethylthio)acetyl-, hydrochloride
IUPAC: 1-(2-chlorophenothiazin-10-yl)-2-[2-(dimethylamino)ethylsulfanyl]ethanone;hydrochloride

Names & synonyms

NSC 1412554377-16-68-Chloro-10-(2-(2-(dimethylamino)ethylthio)acetyl)phenothiazine hydrochloridePhenothiazine, 2-chloro-10-(2-(dimethylamino)ethylthio)acetyl-, hydrochlorideDTXSID801959288-Chloro-10-[2-[2-(dimethylamino)ethylthio]acetyl]phenothiazine hydrochlorideRefChem:369527DTXCID20118419NSC-141255Y6LG3P6GEXNSC141255Phenothiazine, 2-chloro-10-[[[2-(dimethylamino)ethyl]thio]acetyl]-, hydrochloride

Show more names

1-(2-Chloro-10H-phenothiazin-10-yl)-2-{[2-(dimethylamino)ethyl]sulfanyl}ethan-1-one--hydrogen chloride (1/1)Ethanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2-[[2-(dimethylamino)ethyl]thio]-, hydrochlorideEthanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2-[[2-(dimethylamino)ethyl]thio]-, hydrochloride (1:1)

Database identifiers

CAS: 4377-16-6
PubChem CID: 199535
DTXSID: DTXSID80195928
UNII: Y6LG3P6GEX

Properties

Computed structural properties

Topological polar surface area: 74.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 437

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