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Thiometon-sulfone

CAT: 0572-TRC-T344670-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344670-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20301-63-7
Hazard Statement
Fatal if swallowed; UN number: UN3278; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCS(=O)(=O)CCSP(=S)(OC)OC
Molecular Formula
C6 H15 O4 P S3
Molecular Weight
278.35
InChI
InChI=1S/C6H15O4PS3/c1-4-14(7,8)6-5-13-11(12,9-2)10-3/h4-6H2,1-3H3
Additionnal Information
IUPAC name: 2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-λ^{5}-phosphane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Thiometon sulfone
CAS Number20301-63-7
PubChem CID91752132
IUPAC Namediethoxy-(2-ethylsulfanylethylsulfonyl)-sulfanylidene-lambda5-phosphane
Molecular FormulaC8H19O4PS3
Molecular Weight306.4
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity313
SMILES
CCOP(=S)(OCC)S(=O)(=O)CCSCC
InChI
InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)16(9,10)8-7-15-6-3/h4-8H2,1-3H3
InChIKey
AHPAELLTKWFXTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiometon sulfone
CAS: 20301-63-7
CID: 91752132
Formula: C8H19O4PS3
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass306.01830960
Monoisotopic Mass306.01830960
Topological Polar Surface Area118 Ų
Heavy Atom Count16
Formal Charge0
Complexity313
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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