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

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

CAS No.:
369396-84-9
Catalog Number:
AG00BZ65
Molecular Formula:
C12H12ClN3OS
Molecular Weight:
281.7612
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:
AG00BZ65
Chemical Name:
4-Allyl-5-(5-chloro-2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
369396-84-9
Molecular Formula:
C12H12ClN3OS
Molecular Weight:
281.7612
MDL Number:
MFCD03804138
IUPAC Name:
3-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H12ClN3OS/c1-3-6-16-11(14-15-12(16)18)9-7-8(13)4-5-10(9)17-2/h3-5,7H,1,6H2,2H3,(H,15,18)
InChI Key:
LXQKOJKJTSRPSW-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1cc(Cl)ccc1OC
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.039g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.758g/mol
Monoisotopic Mass:
281.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties