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Phenylthilone

CAT: 0931-T202130-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202130-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-55-9
Bioactivity
Phenylthilone is a compound known for its anticonvulsant, hypnotic, and antispasmodic properties.
Smiles
O=C1NC(=O)C(SC1)(C=2C=CC=CC2)CC
Molecular Formula
C12H13NO2S
Molecular Weight
235.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenylthilone
CAS Number115-55-9
PubChem CID227260
IUPAC Name2-ethyl-2-phenylthiomorpholine-3,5-dione
Molecular FormulaC12H13NO2S
Molecular Weight235.30
XLogP2.2
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity299
SMILES
CCC1(C(=O)NC(=O)CS1)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-2-12(9-6-4-3-5-7-9)11(15)13-10(14)8-16-12/h3-7H,2,8H2,1H3,(H,13,14,15)
InChIKey
IJCATHLRDWDKAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylthilone
CAS: 115-55-9
CID: 227260
Formula: C12H13NO2S
MW: 235.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.30
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass235.06669983
Monoisotopic Mass235.06669983
Topological Polar Surface Area71.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity299
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

Alternative Products

CatalogName
GTR19242421-01Phenylthilone

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