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137927-72-1 | Acetic acid, 2-[[6-(4-methylphenoxy)-4-pyrimidinyl]thio]-, hydrazide
CAS No: 137927-72-1 Catalog No: AG00143Y MDL No:
Product Description
Catalog Number:
AG00143Y
Chemical Name:
Acetic acid, 2-[[6-(4-methylphenoxy)-4-pyrimidinyl]thio]-, hydrazide
CAS Number:
137927-72-1
Molecular Formula:
C13H14N4O2S
Molecular Weight:
290.3409
IUPAC Name:
2-[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanylacetohydrazide
InChI:
InChI=1S/C13H14N4O2S/c1-9-2-4-10(5-3-9)19-12-6-13(16-8-15-12)20-7-11(18)17-14/h2-6,8H,7,14H2,1H3,(H,17,18)
InChI Key:
SUNRHUDZKNDCJJ-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1ncnc(c1)Oc1ccc(cc1)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.341g/mol
Monoisotopic Mass:
290.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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