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22941-83-9 | Phosphorothioic acid, O,O-diethyl O-[4-[1-[[[(methylamino)carbonyl]oxy]imino]ethyl]phenyl] ester
CAS No: 22941-83-9 Catalog No: AG002LM5 MDL No:
Product Description
Catalog Number:
AG002LM5
Chemical Name:
Phosphorothioic acid, O,O-diethyl O-[4-[1-[[[(methylamino)carbonyl]oxy]imino]ethyl]phenyl] ester
CAS Number:
22941-83-9
Molecular Formula:
C14H21N2O5PS
Molecular Weight:
360.3657
IUPAC Name:
[1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-methylcarbamate
InChI:
InChI=1S/C14H21N2O5PS/c1-5-18-22(23,19-6-2)21-13-9-7-12(8-10-13)11(3)16-20-14(17)15-4/h7-10H,5-6H2,1-4H3,(H,15,17)
InChI Key:
KQSSEPJKQFMIJH-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1ccc(cc1)C(=NOC(=O)NC)C)OCC
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.365g/mol
Monoisotopic Mass:
360.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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