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88064-19-1 | 1H-Pyrazole, 1-[[ethoxy(propylthio)phosphinothioyl]oxy]-
CAS No: 88064-19-1 Catalog No: AG004FFK MDL No:
Product Description
Catalog Number:
AG004FFK
Chemical Name:
1H-Pyrazole, 1-[[ethoxy(propylthio)phosphinothioyl]oxy]-
CAS Number:
88064-19-1
Molecular Formula:
C8H15N2O2PS2
Molecular Weight:
266.3207
IUPAC Name:
ethoxy-propylsulfanyl-pyrazol-1-yloxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C8H15N2O2PS2/c1-3-8-15-13(14,11-4-2)12-10-7-5-6-9-10/h5-7H,3-4,8H2,1-2H3
InChI Key:
GTYRTGFJDKNINC-UHFFFAOYSA-N
SMILES:
CCCSP(=S)(On1cccn1)OCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.314g/mol
Monoisotopic Mass:
266.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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