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Home > Pyridines > 431924-21-9
431924-21-9 | N-(2-methylphenyl)-N'-(3-pyridylmethyl)thiourea
CAS No: 431924-21-9 Catalog No: AG01CAP7 MDL No:MFCD01312335
Product Description
Catalog Number:
AG01CAP7
Chemical Name:
N-(2-methylphenyl)-N'-(3-pyridylmethyl)thiourea
CAS Number:
431924-21-9
Molecular Formula:
C14H15N3S
Molecular Weight:
257.3540
MDL Number:
MFCD01312335
IUPAC Name:
1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C14H15N3S/c1-11-5-2-3-7-13(11)17-14(18)16-10-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChI Key:
ZZQFJAXPYNVYIR-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1C)NCc1cccnc1
Properties
Complexity:
270
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:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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