Home Aminos 4-Allyl-5-[4-(diethylamino)phenyl]-4h-1,2,4-triazole-3-thiol

4-Allyl-5-[4-(diethylamino)phenyl]-4h-1,2,4-triazole-3-thiol

CAS No.:
669748-48-5
Catalog Number:
AG00FAO3
Molecular Formula:
C15H20N4S
Molecular Weight:
288.4111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00FAO3
Chemical Name:
4-Allyl-5-[4-(diethylamino)phenyl]-4h-1,2,4-triazole-3-thiol
CAS Number:
669748-48-5
Molecular Formula:
C15H20N4S
Molecular Weight:
288.4111
MDL Number:
MFCD03900787
IUPAC Name:
3-[4-(diethylamino)phenyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H20N4S/c1-4-11-19-14(16-17-15(19)20)12-7-9-13(10-8-12)18(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3,(H,17,20)
InChI Key:
RAGPQLCQEQJMOG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)c1nnc(n1CC=C)S)CC
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.141g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.413g/mol
Monoisotopic Mass:
288.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties