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9-Thioxanthone

CAT: 0926-FT02852-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FT02852-01Size:0.1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
492-22-8
MDL Number
MFCD00005066
Smiles
C1=CC=C2C (=C1) C (=O) C3=CC=CC=C3S2
Molecular Formula
C13H8OS
Molecular Weight
212.27 g/mol
Controlled
No

Chemical Information

Thioxanthone

structure in first source

CAS Number492-22-8
PubChem CID10295
IUPAC Namethioxanthen-9-one
Molecular FormulaC13H8OS
Molecular Weight212.27
XLogP4
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
YRHRIQCWCFGUEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thioxanthone
CAS: 492-22-8
CID: 10295
Formula: C13H8OS
MW: 212.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.27
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.02958605
Monoisotopic Mass212.02958605
Topological Polar Surface Area42.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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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