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356574-65-7 | 1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea
CAS No: 356574-65-7 Catalog No: AG00ITH1 MDL No:MFCD00121910
Product Description
Catalog Number:
AG00ITH1
Chemical Name:
1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea
CAS Number:
356574-65-7
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
MDL Number:
MFCD00121910
IUPAC Name:
1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
InChI:
InChI=1S/C14H15N3OS/c1-18-13-4-2-12(3-5-13)17-14(19)16-10-11-6-8-15-9-7-11/h2-9H,10H2,1H3,(H2,16,17,19)
InChI Key:
RKJQRLFXBJKEOK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NCc1ccncc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.354g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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