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68896-47-9

68896-47-9 | PHOSPHOROTHIOIC ACID O-(1,6-DIHYDRO-5-(ETHYLTHIO)-1-METHYL-6-OXO-4-PYRIDAZINYL) O-ETHYL O-(ISOPROPYL) ESTER

CAS No: 68896-47-9 Catalog No: AG006FVM MDL No:

Product Description

Catalog Number:
AG006FVM
Chemical Name:
PHOSPHOROTHIOIC ACID O-(1,6-DIHYDRO-5-(ETHYLTHIO)-1-METHYL-6-OXO-4-PYRIDAZINYL) O-ETHYL O-(ISOPROPYL) ESTER
CAS Number:
68896-47-9
Molecular Formula:
C12H21N2O4PS2
Molecular Weight:
352.4099
IUPAC Name:
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one
InChI:
InChI=1S/C12H21N2O4PS2/c1-6-16-19(20,17-9(3)4)18-10-8-13-14(5)12(15)11(10)21-7-2/h8-9H,6-7H2,1-5H3
InChI Key:
LIDGNZYMPRSGMW-UHFFFAOYSA-N
SMILES:
CCSc1c(cnn(c1=O)C)OP(=S)(OC(C)C)OCC

Properties

Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.068g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.404g/mol
Monoisotopic Mass:
352.068g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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