2,3-dihydro-1H-phenothiazin-4(10H)-one
Basic information
- CAS
39853-56-0- Standard SMILES
O=C1CCCC2=C1Sc1ccccc1N2- InChIKey
KOBHMYVVCCJHNM-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- 2,3-dihydro-1H-phenothiazin-4(10H)-one
- IUPAC
- 1,2,3,10-tetrahydrophenothiazin-4-one
Names & synonyms
2,3-dihydro-1H-phenothiazin-4(10H)-one39853-56-0DTXSID40353441RefChem:244761DTXCID903045041H-Phenothiazin-4(10H)-one, 2,3-dihydro-Oprea1_819154CBDivE_013951SCHEMBL6545194CHEMBL1429797HMS1606L131,2,3-trihydrophenothiazin-4-one
Show more names
2,3-dihydro-1H-phenothiazin-4-olSTL043713AKOS000809472AKOS0056967991,2,3,10-tetrahydro-phenothiazin-4-oneST50073103AH-262/32928005SR-01000484071
Database identifiers
- CAS
39853-56-0- PubChem CID
- 741192
- DTXSID
DTXSID40353441- ChEMBL
CHEMBL1429797
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
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Related reactions
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Compound notes
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