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

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

CAS No.:
735342-68-4
Catalog Number:
AG019J1D
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
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Product Description
Catalog Number:
AG019J1D
Chemical Name:
5-cyclopropyl-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
735342-68-4
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
MDL Number:
MFCD04615276
IUPAC Name:
3-cyclopropyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H11N3OS/c15-10-12-11-9(7-3-4-7)13(10)6-8-2-1-5-14-8/h1-2,5,7H,3-4,6H2,(H,12,15)
InChI Key:
YXIWUVAHHVRXPH-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1Cc1ccco1)C1CC1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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
Properties