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

5-[(2,5-Dichlorophenoxy)methyl]-4-methyl-4h-1,2,4-triazole-3-thiol

CAS No.:
588674-33-3
Catalog Number:
AG00EC3S
Molecular Formula:
C10H9Cl2N3OS
Molecular Weight:
290.1690
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:
AG00EC3S
Chemical Name:
5-[(2,5-Dichlorophenoxy)methyl]-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number:
588674-33-3
Molecular Formula:
C10H9Cl2N3OS
Molecular Weight:
290.1690
MDL Number:
MFCD03943553
IUPAC Name:
3-[(2,5-dichlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H9Cl2N3OS/c1-15-9(13-14-10(15)17)5-16-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,14,17)
InChI Key:
VYPDUEVSZKQUSS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)OCc1nnc(n1C)S)Cl
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.984g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.162g/mol
Monoisotopic Mass:
288.984g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties