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Home > Pyridines > 118708-33-1
118708-33-1 | 1-benzoyl-3-[2-(pyridin-2-yl)ethyl]thiourea
CAS No: 118708-33-1 Catalog No: AG00ITV8 MDL No:MFCD00178459
Product Description
Catalog Number:
AG00ITV8
Chemical Name:
1-benzoyl-3-[2-(pyridin-2-yl)ethyl]thiourea
CAS Number:
118708-33-1
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
MDL Number:
MFCD00178459
IUPAC Name:
N-(2-pyridin-2-ylethylcarbamothioyl)benzamide
InChI:
InChI=1S/C15H15N3OS/c19-14(12-6-2-1-3-7-12)18-15(20)17-11-9-13-8-4-5-10-16-13/h1-8,10H,9,11H2,(H2,17,18,19,20)
InChI Key:
OGVUIDNTSOFGOQ-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)NCCc1ccccn1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.365g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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