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Thioridazine 2-Sulfone

CAT: 0572-TRC-T368810-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T368810-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14759-06-9
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)C
Molecular Formula
C21H26N2O2S2
Molecular Weight
402.57
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulforidazine

Sulforidazine is a member of phenothiazines.

CAS Number14759-06-9
PubChem CID31765
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonylphenothiazine
Molecular FormulaC21H26N2O2S2
Molecular Weight402.6
XLogP4.6
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity606
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
FLGCRGJDQJIJAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulforidazine
CAS: 14759-06-9
CID: 31765
Formula: C21H26N2O2S2
MW: 402.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass402.14357042
Monoisotopic Mass402.14357042
Topological Polar Surface Area74.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity606
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