82679-91-2
PHENYLPHOSPHONOTHIOIC ACID O-ETHYL O-(3-METHYL-4-(METHYLSULFINYL)PHENYL) ESTER
NamePHENYLPHOSPHONOTHIOIC ACID O-ETHYL O-(3-METHYL-4-(METHYLSULFINYL)PHENYL) ESTER
pro_formulaC16 H19 O3 P S2
1Identification
【Name】
PHENYLPHOSPHONOTHIOIC ACID O-ETHYL O-(3-METHYL-4-(METHYLSULFINYL)PHENYL) ESTER
【CAS】
【MDL】
MFCD01705904
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H19 O3 P S2
【pro_molWeight】
354.429
【Inchi】
InChI=1S/C16H19O3PS2/c1-4-18-20(21,15-8-6-5-7-9-15)19-14-10-11-16(22(3)17)13(2)12-14/h5-12H,4H2,1-3H3
【InChIKey】
InChIKey=VVBWXCYEIXRLBJ-UHFFFAOYSA-N
【SMILES】
CCOP(=S)(c1ccccc1)Oc2ccc(c(c2)C)S(=O)C
【MOL File】
PHENYLPHOSPHONOTHIOI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
PHENYLPHOSPHONOTHIOIC ACID O-ETHYL O-(3-METHYL-4-(METHYLSULFINYL)PHENYL) ESTER.cml