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

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

CAS No.:
667437-95-8
Catalog Number:
AG00FBTL
Molecular Formula:
C12H12ClN3S
Molecular Weight:
265.7618
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:
AG00FBTL
Chemical Name:
4-Allyl-5-(4-chlorobenzyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
667437-95-8
Molecular Formula:
C12H12ClN3S
Molecular Weight:
265.7618
MDL Number:
MFCD03900747
IUPAC Name:
3-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H12ClN3S/c1-2-7-16-11(14-15-12(16)17)8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,15,17)
InChI Key:
TVXKKKRBRPDOED-UHFFFAOYSA-N
SMILES:
C=CCn1c(nnc1S)Cc1ccc(cc1)Cl
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.759g/mol
Monoisotopic Mass:
265.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties