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117483-22-4 | Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-
CAS No: 117483-22-4 Catalog No: AG000ECE MDL No:
Product Description
Catalog Number:
AG000ECE
Chemical Name:
Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-
CAS Number:
117483-22-4
Molecular Formula:
C12H14N4S2
Molecular Weight:
278.3964
IUPAC Name:
1-phenyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)thiourea
InChI:
InChI=1S/C12H14N4S2/c1-2-6-10-15-16-12(18-10)14-11(17)13-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,16,17)
InChI Key:
MNESZJUUVUWRNW-UHFFFAOYSA-N
SMILES:
CCCc1nnc(s1)NC(=S)Nc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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