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Acetyl Phenothiazine S-Oxide

CAT: 1596-AR-P03406-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03406-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217-37-4
Synonyms
10-Acetyl-10H-phenothiazine 5-oxide; 1- (5-oxido-10H-phenothiazin-10-yl) ethanone;10-Acetyl-10H-phenothiazine 5-oxide; NSC1933;10H-Phenothiazine, 10-acetyl-, 5-oxide;10-acetylphenothiazine S-oxide
Molecular Formula
C14H11NO2S
Molecular Weight
257.31
API Name
Phenothiazine

Chemical Information

Phenothiazine, 10-acetyl-, 5-oxide
CAS Number1217-37-4
PubChem CID219971
IUPAC Name1-(5-oxophenothiazin-10-yl)ethanone
Molecular FormulaC14H11NO2S
Molecular Weight257.31
XLogP1.7
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity345
SMILES
CC(=O)N1C2=CC=CC=C2S(=O)C3=CC=CC=C31
InChI
InChI=1S/C14H11NO2S/c1-10(16)15-11-6-2-4-8-13(11)18(17)14-9-5-3-7-12(14)15/h2-9H,1H3
InChIKey
SZLYHEJOJMRRFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenothiazine, 10-acetyl-, 5-oxide
CAS: 1217-37-4
CID: 219971
Formula: C14H11NO2S
MW: 257.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.31
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass257.05104977
Monoisotopic Mass257.05104977
Topological Polar Surface Area67.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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