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Home Other Building Blocks 4-(2-methylprop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

4-(2-methylprop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:
307327-60-2
Catalog Number:
AG01A0NI
Molecular Formula:
C11H12N4S
Molecular Weight:
232.3048
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Product Description
Catalog Number:
AG01A0NI
Chemical Name:
4-(2-methylprop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
307327-60-2
Molecular Formula:
C11H12N4S
Molecular Weight:
232.3048
MDL Number:
MFCD01163889
IUPAC Name:
4-(2-methylprop-2-enyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H12N4S/c1-8(2)7-15-10(13-14-11(15)16)9-3-5-12-6-4-9/h3-6H,1,7H2,2H3,(H,14,16)
InChI Key:
GYHJQLOQTQUOHY-UHFFFAOYSA-N
SMILES:
CC(=C)Cn1c(S)nnc1c1ccncc1
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.305g/mol
Monoisotopic Mass:
232.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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