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Home Other Building Blocks 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol

5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol

CAS No.:
565172-45-4
Catalog Number:
AG019I0B
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
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Product Description
Catalog Number:
AG019I0B
Chemical Name:
5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol
CAS Number:
565172-45-4
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
MDL Number:
MFCD03984488
IUPAC Name:
3-cyclopropyl-2-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H11N3S/c15-11-12-10(8-6-7-8)14(13-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)
InChI Key:
YLIGLBKYJFKWOD-UHFFFAOYSA-N
SMILES:
Sc1nc(n(n1)c1ccccc1)C1CC1
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
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