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

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

CAS No.:
724749-10-4
Catalog Number:
AG0065TF
Molecular Formula:
C13H16N4S
Molecular Weight:
260.3579
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:
AG0065TF
Chemical Name:
4-Allyl-5-[4-(dimethylamino)phenyl]-4h-1,2,4-triazole-3-thiol
CAS Number:
724749-10-4
Molecular Formula:
C13H16N4S
Molecular Weight:
260.3579
MDL Number:
MFCD04059334
IUPAC Name:
3-[4-(dimethylamino)phenyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H16N4S/c1-4-9-17-12(14-15-13(17)18)10-5-7-11(8-6-10)16(2)3/h4-8H,1,9H2,2-3H3,(H,15,18)
InChI Key:
STLICZRBJOVEPW-UHFFFAOYSA-N
SMILES:
C=CCn1c(n[nH]c1=S)c1ccc(cc1)N(C)C
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.11g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.359g/mol
Monoisotopic Mass:
260.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties