Lawesson's reagent

C₁₄H₁₄O₂P₂S₄CAS 19172-47-5404.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O₂P₂S₄
Molar mass: 404.45 g/mol
Exact mass: 403.9352 Da
Melting point: 229 °C
logP: 4.75Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

Hazards

Danger

H261 In contact with water releases flammable gas86.2% of notifiers
H302 Harmful if swallowed24.1% of notifiers
H312 Harmful in contact with skin15.5% of notifiers
H332 Harmful if inhaled24.1% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, P501

Identifiers

CAS number

19172-47-5

SMILES

COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

InChIKey

CFHGBZLNZZVTAY-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide
Phosphonotrithioic acid, (p-methoxyphenyl)-, bimol. cyclic anhydrosulfide
p-Anisyldithiophosphonic anhydride
2,4-Bis(p-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide
2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide
Reagents, lawesson's
2,4-Di(p-methoxyphenyl)-1,3-dithiadiphosphetane disulfide
NSC 150550
2,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane
2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide
Lawesson reagent
2,4-(4-Methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide

Work with Lawesson's reagent

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dimethoxybenzene150-78-750 % similar 4-Methoxyphenylphosphonic acid21778-19-845 % similar Bis(4-methoxyphenyl) disulfide5335-87-545 % similar 4,4'-Dimethoxybiphenyl2132-80-144 % similar 1-Methoxy-4-(methylthio)benzene1879-16-942 % similar 4-Methylanisole104-93-841 % similar p,p′-Dimethoxydiphenyliodonium bromide19231-06-241 % similar 4-Methoxyphenylphosphonic acid diethyl ester3762-33-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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