Home Halogens 4-Allyl-5-[(2-chloro-4-fluorophenoxy)methyl]-4h-1,2,4-triazole-3-thiol

4-Allyl-5-[(2-chloro-4-fluorophenoxy)methyl]-4h-1,2,4-triazole-3-thiol

CAS No.:
667414-13-3
Catalog Number:
AG00FBU8
Molecular Formula:
C12H11ClFN3OS
Molecular Weight:
299.7516
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:
AG00FBU8
Chemical Name:
4-Allyl-5-[(2-chloro-4-fluorophenoxy)methyl]-4h-1,2,4-triazole-3-thiol
CAS Number:
667414-13-3
Molecular Formula:
C12H11ClFN3OS
Molecular Weight:
299.7516
MDL Number:
MFCD04054696
IUPAC Name:
3-[(2-chloro-4-fluorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H11ClFN3OS/c1-2-5-17-11(15-16-12(17)19)7-18-10-4-3-8(14)6-9(10)13/h2-4,6H,1,5,7H2,(H,16,19)
InChI Key:
RWWUTQVRGTXYJN-UHFFFAOYSA-N
SMILES:
C=CCn1c(COc2ccc(cc2Cl)F)nnc1S
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.03g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.748g/mol
Monoisotopic Mass:
299.03g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties