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

5-[4-(Dimethylamino)phenyl]-4-ethyl-4h-1,2,4-triazole-3-thiol

CAS No.:
724749-06-8
Catalog Number:
AG0065TG
Molecular Formula:
C12H16N4S
Molecular Weight:
248.3472
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:
AG0065TG
Chemical Name:
5-[4-(Dimethylamino)phenyl]-4-ethyl-4h-1,2,4-triazole-3-thiol
CAS Number:
724749-06-8
Molecular Formula:
C12H16N4S
Molecular Weight:
248.3472
MDL Number:
MFCD04058984
IUPAC Name:
3-[4-(dimethylamino)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H16N4S/c1-4-16-11(13-14-12(16)17)9-5-7-10(8-6-9)15(2)3/h5-8H,4H2,1-3H3,(H,14,17)
InChI Key:
VYKNSOMKGROGHF-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]nc1c1ccc(cc1)N(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.348g/mol
Monoisotopic Mass:
248.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties