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Home > Pyridines > 400736-68-7
400736-68-7 | 3-(2-methylphenyl)-1-[(pyridin-2-yl)methyl]thiourea
CAS No: 400736-68-7 Catalog No: AG00ISY4 MDL No:MFCD01871756
Product Description
Catalog Number:
AG00ISY4
Chemical Name:
3-(2-methylphenyl)-1-[(pyridin-2-yl)methyl]thiourea
CAS Number:
400736-68-7
Molecular Formula:
C14H15N3S
Molecular Weight:
257.3540
MDL Number:
MFCD01871756
IUPAC Name:
1-(2-methylphenyl)-3-(pyridin-2-ylmethyl)thiourea
InChI:
InChI=1S/C14H15N3S/c1-11-6-2-3-8-13(11)17-14(18)16-10-12-7-4-5-9-15-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChI Key:
DVIYFRCFDXPNPI-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1C)NCc1ccccn1
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:
2.4
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