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Lawesson reagent

CAT: 0862-GK7277-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK7277-25gSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19172-47-5
EC Number
242-855-4
MDL Number
MFCD00005171
HS Code
29319090
Purity
96.00%
Molecular Formula
C14H14O2P2S4
Molecular Weight
404.47
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Lawesson's reagent
CAS Number19172-47-5
PubChem CID87949
IUPAC Name2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
Molecular FormulaC14H14O2P2S4
Molecular Weight404.5
XLogP6.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity425
SMILES
COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKey
CFHGBZLNZZVTAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lawesson's reagent
CAS: 19172-47-5
CID: 87949
Formula: C14H14O2P2S4
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass403.93518837
Monoisotopic Mass403.93518837
Topological Polar Surface Area133 Ų
Heavy Atom Count22
Formal Charge0
Complexity425
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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