Cas no 581-30-6 (3H-Phenothiazin-3-one)

3H-Phenothiazin-3-one structure
3H-Phenothiazin-3-one structure
Product Name:3H-Phenothiazin-3-one
CAS No:581-30-6
MF:C12H7NOS
MW:213.255081415176
MDL:MFCD00966897
CID:948063
PubChem ID:68485
Update Time:2025-04-19

3H-Phenothiazin-3-one Chemical and Physical Properties

Names and Identifiers

    • 3H-phenothiazin-3-one
    • 3-Phenothiazone
    • 3H-phenothiazine-3-one
    • 3H-pheno-thiazinone
    • 3-phenothiazinone
    • NSC402439
    • phenothiazine-3-one
    • phenothiazone
    • SureCN87789
    • phenothiazin-3-one
    • 5YML4NNP1E
    • MLS003171518
    • YKGCCFHSXQHWIG-UHFFFAOYSA-N
    • 3H-Phenothiazinone
    • 3H-Phenothiazin-3-one (8CI)(9CI)
    • 3H-phenothiaz-3-one
    • SMR001875402
    • ST50999883
    • SCHEMBL4361894
    • UNII-5YML4NNP1E
    • AI3-03564
    • SCHEMBL10783204
    • NSC 402439
    • NSC-402439
    • CHEMBL1879816
    • 581-30-6
    • AS-56606
    • DTXSID4073912
    • AKOS003593464
    • NS00126945
    • SCHEMBL87789
    • 3H-Phenothiazin-3-one
    • MDL: MFCD00966897
    • Inchi: 1S/C12H7NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
    • InChI Key: YKGCCFHSXQHWIG-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2N=C2C=CC(C=C12)=O

Computed Properties

  • Exact Mass: 213.02491
  • Monoisotopic Mass: 213.02483502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 394
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.7
  • XLogP3: 2

Experimental Properties

  • PSA: 29.43

3H-Phenothiazin-3-one Pricemore >>

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3H-Phenothiazin-3-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iodylbenzene ,  Vanadyl acetylacetonate Solvents: Benzene
Reference
Biomimetic oxidation of some nitrogen-containing compounds by the iodoxybenzene-vanadyl acetylacetonate complex
Barret, R.; Pautet, F.; Daudon, M., Pharmazie, 1986, 41(4), 285-6

Production Method 2

Reaction Conditions
1.1 Reagents: Iodylbenzene Catalysts: Vanadyl acetylacetonate Solvents: Benzene
Reference
Oxidation of phenothiazine and its N-methyl derivatives by iodoxylbenzene-vanadyl acetylacetonate
Pautet, F.; Barret, R.; Daudon, M., Pharmazie, 1985, 40(3), 202-3

3H-Phenothiazin-3-one Raw materials

3H-Phenothiazin-3-one Preparation Products

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