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74051-61-9 | 1-Antipyrinyl-3-(4,6-dimethylpyridin-2-yl)thiourea
CAS No: 74051-61-9 Catalog No: AG00FK29 MDL No:
Product Description
Catalog Number:
AG00FK29
Chemical Name:
1-Antipyrinyl-3-(4,6-dimethylpyridin-2-yl)thiourea
CAS Number:
74051-61-9
IUPAC Name:
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4,6-dimethylpyridin-2-yl)thiourea
InChI:
InChI=1S/C19H21N5OS/c1-12-10-13(2)20-16(11-12)21-19(26)22-17-14(3)23(4)24(18(17)25)15-8-6-5-7-9-15/h5-11H,1-4H3,(H2,20,21,22,26)
InChI Key:
FBGPIEADKJHTQI-UHFFFAOYSA-N
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.471g/mol
Monoisotopic Mass:
367.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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