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Home > Pyridines > 405067-52-9
405067-52-9 | 1-(4-methoxyphenyl)-3-[(pyridin-3-yl)methyl]thiourea
CAS No: 405067-52-9 Catalog No: AG00J03T MDL No:MFCD00121917
Product Description
Catalog Number:
AG00J03T
Chemical Name:
1-(4-methoxyphenyl)-3-[(pyridin-3-yl)methyl]thiourea
CAS Number:
405067-52-9
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
MDL Number:
MFCD00121917
IUPAC Name:
1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C14H15N3OS/c1-18-13-6-4-12(5-7-13)17-14(19)16-10-11-3-2-8-15-9-11/h2-9H,10H2,1H3,(H2,16,17,19)
InChI Key:
QPSIXHFJPXAXBU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NCc1cccnc1
Properties
Complexity:
280
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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