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Home > Pyridines > 125537-85-1
125537-85-1 | Thiourea, N-(4-methylphenyl)-N'-(3-methyl-2-pyridinyl)-
CAS No: 125537-85-1 Catalog No: AG000NU1 MDL No:
Product Description
Catalog Number:
AG000NU1
Chemical Name:
Thiourea, N-(4-methylphenyl)-N'-(3-methyl-2-pyridinyl)-
CAS Number:
125537-85-1
Molecular Formula:
C14H15N3S
Molecular Weight:
257.3540
IUPAC Name:
1-(4-methylphenyl)-3-(3-methylpyridin-2-yl)thiourea
InChI:
InChI=1S/C14H15N3S/c1-10-5-7-12(8-6-10)16-14(18)17-13-11(2)4-3-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChI Key:
HHRDQMQRJFICRE-UHFFFAOYSA-N
SMILES:
S=C(Nc1ncccc1C)Nc1ccc(cc1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.355g/mol
Monoisotopic Mass:
257.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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