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

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

CAS No.:
92286-36-7
Catalog Number:
AG00GVQ3
Molecular Formula:
C11H10ClN3S
Molecular Weight:
251.7352
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:
AG00GVQ3
Chemical Name:
4-Allyl-5-(3-chlorophenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
92286-36-7
Molecular Formula:
C11H10ClN3S
Molecular Weight:
251.7352
MDL Number:
MFCD02255621
IUPAC Name:
3-(3-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
InChI Key:
WPVJPFLNVCGFQS-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1cccc(c1)Cl
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.732g/mol
Monoisotopic Mass:
251.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^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