Phenthimentonium
Basic information
- CAS
101674-11-7- Standard SMILES
CC(C(=O)N1c2ccccc2Sc2ccccc21)[N+](C)(C)C- InChIKey
YARAVERAGXHBDQ-UHFFFAOYSA-N- Molecular formula
- C18H21N2OS+
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.13745947
Names & identifiers
- Preferred name
- Phenthimentonium
- IUPAC
- trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium
Names & synonyms
PhenthimentoniumPhenthimentonium ionPhenthimentonium cationAstra-1470 cationUNII-28Q2T889WG28Q2T889WGAmmonium, trimethyl(1-phenothiazin-10-ylcarbonylethyl)101674-11-710H-Phenothiazine-10-ethanaminium, N,N,N,alpha-tetramethyl-beta-oxo-Q2725433710H-PHENOTHIAZINE-10-ETHANAMINIUM, N,N,N,.ALPHA.-TETRAMETHYL-.BETA.-OXO-
Database identifiers
- CAS
101674-11-7- PubChem CID
- 9278
- UNII
- 28Q2T889WG
- Nikkaji
- J239.346H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 398
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Compound notes
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