Home Halogens 4-Allyl-5-(3,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol

4-Allyl-5-(3,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol

CAS No.:
725217-55-0
Catalog Number:
AG00FANR
Molecular Formula:
C11H9Cl2N3S
Molecular Weight:
286.1803
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:
AG00FANR
Chemical Name:
4-Allyl-5-(3,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
725217-55-0
Molecular Formula:
C11H9Cl2N3S
Molecular Weight:
286.1803
MDL Number:
MFCD04138211
IUPAC Name:
3-(3,4-dichlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H9Cl2N3S/c1-2-5-16-10(14-15-11(16)17)7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,15,17)
InChI Key:
MRLFJUYOVZAQLK-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1ccc(c(c1)Cl)Cl
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.989g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.174g/mol
Monoisotopic Mass:
284.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties