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Home > Pyridines > 201215-93-2
201215-93-2 | Thiourea, N-phenyl-N'-(3-pyridinylmethyl)-
CAS No: 201215-93-2 Catalog No: AG002D9N MDL No:MFCD00088576
Product Description
Catalog Number:
AG002D9N
Chemical Name:
Thiourea, N-phenyl-N'-(3-pyridinylmethyl)-
CAS Number:
201215-93-2
Molecular Formula:
C13H13N3S
Molecular Weight:
243.3274
MDL Number:
MFCD00088576
IUPAC Name:
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C13H13N3S/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h1-9H,10H2,(H2,15,16,17)
InChI Key:
QFHALJZCNJGTFQ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCc1cccnc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.328g/mol
Monoisotopic Mass:
243.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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