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Phenothiazine S,S-Dioxide

CAT: 0572-TRC-P297600-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P297600-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1209-66-1
Synonyms
5,5-Dioxophenothiazine;
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=S1(=O)c2ccccc2Nc3ccccc13
Molecular Formula
C12H9NO2S
Molecular Weight
231.27
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenothiazine 5,5-dioxide
CAS Number1209-66-1
PubChem CID71024
IUPAC Name10H-phenothiazine 5,5-dioxide
Molecular FormulaC12H9NO2S
Molecular Weight231.27
XLogP2.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity332
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H
InChIKey
ZAYUOSICZWFJSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenothiazine 5,5-dioxide
CAS: 1209-66-1
CID: 71024
Formula: C12H9NO2S
MW: 231.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.27
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass231.03539970
Monoisotopic Mass231.03539970
Topological Polar Surface Area54.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity332
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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Alternative Products

CatalogName
BAA20966-01Phenothiazine S, S-dioxide
AR-P30095-01Phenothiazine S, S-Dioxide Nitroso Impurity
AR-P03405-01Phenothiazine S-Oxide
AR-P03407-01Acetyl Phenothiazine dioxide
AR-P03406-01Acetyl Phenothiazine S-Oxide
OR1072860-0110H-Phenothiazine 5,5-dioxide
0174132- (Methylsulfonyl) phenothiazine 5,5-Dioxide
MBS6070510-012-(Methylsulfonyl)phenothiazine 5,5-Dioxide
469782-01(βS) -2-Methoxy-β-methyl-10H-Phenothiazine-10-propanol
OR1059484-0110- (4-Chlorophenyl) -10H-phenothiazine 5,5-dioxide

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