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20841-26-3 | Thiourea, N-(3-methylphenyl)-N'-[2-(2-pyridinyl)ethyl]-
CAS No: 20841-26-3 Catalog No: AG002JOI MDL No:MFCD00126092
Product Description
Catalog Number:
AG002JOI
Chemical Name:
Thiourea, N-(3-methylphenyl)-N'-[2-(2-pyridinyl)ethyl]-
CAS Number:
20841-26-3
Molecular Formula:
C15H17N3S
Molecular Weight:
271.3806
MDL Number:
MFCD00126092
IUPAC Name:
1-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea
InChI:
InChI=1S/C15H17N3S/c1-12-5-4-7-14(11-12)18-15(19)17-10-8-13-6-2-3-9-16-13/h2-7,9,11H,8,10H2,1H3,(H2,17,18,19)
InChI Key:
BYYMNCLQXIVWNA-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc(c1)C)NCCc1ccccn1
NSC Number:
176377
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.382g/mol
Monoisotopic Mass:
271.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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