Basic information
- CAS
1039-59-4- Standard SMILES
CSc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2- InChIKey
VAKQWULGGDTKGR-UHFFFAOYSA-N- Molecular formula
- C18H22N2S2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.12244106
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-(methylthio)-10H-phenothiazine-10-propanamine
- IUPAC
- N,N-dimethyl-3-(2-methylsulfanylphenothiazin-10-yl)propan-1-amine
Names & synonyms
Thiomethylpromazine1039-59-4Phenothiazine, 10-(3-dimethylaminopropyl)-2-methylthio-NSC-186063PP2MSY26XXDTXSID40146133N,N-Dimethyl-2-(methylthio)-10H-phenothiazine-10-propanamineRefChem:1090528DTXCID8068624TZ 11NSC186063Phenothiazine, 10-[3-(dimethylamino)propyl]-2-(methylthio)-
Show more names
NSC 186063BRN 108574210-(3-Dimethylaminopropyl)-2-methylthiophenothiazine10-[3-(Dimethylamino)propyl]-2-(methylthio)phenothiazineNCIStruc1_001990NCIStruc2_001600CHEMBL53206SCHEMBL142864
Database identifiers
- CAS
1039-59-4- PubChem CID
- 70583
- DTXSID
DTXSID40146133- ChEMBL
CHEMBL53206- UNII
- PP2MSY26XX
- Nikkaji
- J13.569K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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