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Home Other Building Blocks 4-cyclopropyl-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

4-cyclopropyl-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
725710-47-4
Catalog Number:
AG019IZT
Molecular Formula:
C11H10FN3S
Molecular Weight:
235.2806
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Product Description
Catalog Number:
AG019IZT
Chemical Name:
4-cyclopropyl-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
725710-47-4
Molecular Formula:
C11H10FN3S
Molecular Weight:
235.2806
MDL Number:
MFCD03961601
IUPAC Name:
4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H10FN3S/c12-9-4-2-1-3-8(9)10-13-14-11(16)15(10)7-5-6-7/h1-4,7H,5-6H2,(H,14,16)
InChI Key:
HPMFVZZJXKKQLD-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nnc(n1C1CC1)S
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.28g/mol
Monoisotopic Mass:
235.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Properties