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Triphthazine Sulfoxide

CAT: 0572-TRC-T724820-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T724820-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1549-88-8
Synonyms
10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine 5-Oxide; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine 5-Oxide; Trifluoperazine S-oxide; Trifluoperazine sulfoxide; Trifluoperazine sulphoxide; Trifluoroperazine sulfoxide; Triphthazine sulfoxide; Stelazine sulphoxide; SKF-5806
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN1CCN(CCCN2c3ccccc3S(=O)c4ccc(cc24)C(F)(F)F)CC1
Molecular Formula
C21 H24 F3 N3 O S
Molecular Weight
423.5
InChI
InChI=1S/C21H24F3N3OS/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)29(28)20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
Additionnal Information
IUPAC name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine 5-oxide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Trifluoperazine sulfoxide
CAS Number1549-88-8
PubChem CID159622
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine 5-oxide
Molecular FormulaC21H24F3N3OS
Molecular Weight423.5
XLogP3.7
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity582
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H24F3N3OS/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)29(28)20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
UCTLPXYMIYHZST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trifluoperazine sulfoxide
CAS: 1549-88-8
CID: 159622
Formula: C21H24F3N3OS
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass423.15921806
Monoisotopic Mass423.15921806
Topological Polar Surface Area56.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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