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Home > Pyridines > 118708-31-9
118708-31-9 | 3-benzoyl-1-[(pyridin-4-yl)methyl]thiourea
CAS No: 118708-31-9 Catalog No: AG00ITGT MDL No:MFCD00178453
Product Description
Catalog Number:
AG00ITGT
Chemical Name:
3-benzoyl-1-[(pyridin-4-yl)methyl]thiourea
CAS Number:
118708-31-9
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
MDL Number:
MFCD00178453
IUPAC Name:
N-(pyridin-4-ylmethylcarbamothioyl)benzamide
InChI:
InChI=1S/C14H13N3OS/c18-13(12-4-2-1-3-5-12)17-14(19)16-10-11-6-8-15-9-7-11/h1-9H,10H2,(H2,16,17,18,19)
InChI Key:
BLPJQEHCDQOKBW-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)NCc1ccncc1
NSC Number:
201433
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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