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88064-22-6 | 1H-Pyrazole, 1-[(dimethoxyphosphinothioyl)oxy]-4-iodo-
CAS No: 88064-22-6 Catalog No: AG004KRU MDL No:
Product Description
Catalog Number:
AG004KRU
Chemical Name:
1H-Pyrazole, 1-[(dimethoxyphosphinothioyl)oxy]-4-iodo-
CAS Number:
88064-22-6
Molecular Formula:
C5H8IN2O3PS
Molecular Weight:
334.0719
IUPAC Name:
(4-iodopyrazol-1-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C5H8IN2O3PS/c1-9-12(13,10-2)11-8-4-5(6)3-7-8/h3-4H,1-2H3
InChI Key:
YOSMTCUGWXGJBK-UHFFFAOYSA-N
SMILES:
COP(=S)(On1ncc(c1)I)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.904g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.068g/mol
Monoisotopic Mass:
333.904g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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