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

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

CAS No.:
21358-24-7
Catalog Number:
AG00BEUA
Molecular Formula:
C13H14ClN3OS
Molecular Weight:
295.7878
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:
AG00BEUA
Chemical Name:
4-Allyl-5-[(4-chloro-2-methylphenoxy)methyl]-4h-1,2,4-triazole-3-thiol
CAS Number:
21358-24-7
Molecular Formula:
C13H14ClN3OS
Molecular Weight:
295.7878
MDL Number:
MFCD01952934
IUPAC Name:
3-[(4-chloro-2-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,19)
InChI Key:
NBZQHSIMJLTMAX-UHFFFAOYSA-N
SMILES:
C=CCn1c(COc2ccc(cc2C)Cl)nnc1S
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.055g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.785g/mol
Monoisotopic Mass:
295.055g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties