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Home Other Building Blocks 4-cyclohexyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

4-cyclohexyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS No.:
330827-79-7
Catalog Number:
AG01A0UL
Molecular Formula:
C15H19N3OS
Molecular Weight:
289.3959
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Product Description
Catalog Number:
AG01A0UL
Chemical Name:
4-cyclohexyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
CAS Number:
330827-79-7
Molecular Formula:
C15H19N3OS
Molecular Weight:
289.3959
MDL Number:
MFCD01442042
IUPAC Name:
4-cyclohexyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H19N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20)
InChI Key:
TUFSOGPLRUAVHM-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(n1C1CCCCC1)COc1ccccc1
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.125g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.397g/mol
Monoisotopic Mass:
289.125g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
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