2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate
Basic information
- CAS
101976-41-4- Standard SMILES
Cc1ccc2c(c1)N(CCOS(C)(=O)=O)c1ccccc1S2- InChIKey
XDHZDMADULAEQS-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.06498575
Names & identifiers
- Preferred name
- 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate
- IUPAC
- 2-(2-methylphenothiazin-10-yl)ethyl methanesulfonate
Names & synonyms
101976-41-4DTXSID409069362-(2-METHYL-10H-PHENOTHIAZIN-10-YL)ETHYL METHANESULFONATERefChem:1060903DTXCID8013360302-Methylphenothiazine-10-ethanol methanesulfonatePhenothiazine-10-ethanol, 2-methyl-, methanesulfonateMethylsulfonic acid, ester with 10-(2-hydroxypropyl)phenothiazine10H-Phenothiazine-10-ethanol, 2-methyl-, 10-methanesulfonate
Database identifiers
- CAS
101976-41-4- PubChem CID
- 3064142
- DTXSID
DTXSID40906936- Nikkaji
- J93.114D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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