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88064-26-0 | 1H-Pyrazole, 1-[[ethoxy[(1-methylpropyl)thio]phosphinothioyl]oxy]-
CAS No: 88064-26-0 Catalog No: AG004I41 MDL No:
Product Description
Catalog Number:
AG004I41
Chemical Name:
1H-Pyrazole, 1-[[ethoxy[(1-methylpropyl)thio]phosphinothioyl]oxy]-
CAS Number:
88064-26-0
Molecular Formula:
C9H17N2O2PS2
Molecular Weight:
280.3472
IUPAC Name:
butan-2-ylsulfanyl-ethoxy-pyrazol-1-yloxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C9H17N2O2PS2/c1-4-9(3)16-14(15,12-5-2)13-11-8-6-7-10-11/h6-9H,4-5H2,1-3H3
InChI Key:
VGJHJYWAPIFZPE-UHFFFAOYSA-N
SMILES:
CCOP(=S)(On1cccn1)SC(CC)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.341g/mol
Monoisotopic Mass:
280.047g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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