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Home Halogens 3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thiol

3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thiol

CAS No.:
261511-12-0
Catalog Number:
AG01EITP
Molecular Formula:
C8H5Cl2N3S
Molecular Weight:
246.1164
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Product Description
Catalog Number:
AG01EITP
Chemical Name:
3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thiol
CAS Number:
261511-12-0
Molecular Formula:
C8H5Cl2N3S
Molecular Weight:
246.1164
MDL Number:
MFCD00728547
IUPAC Name:
5-(3,5-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C8H5Cl2N3S/c9-5-1-4(2-6(10)3-5)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14)
InChI Key:
WGQVQBYYTXVTAW-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1n[nH]c(n1)S
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.109g/mol
Monoisotopic Mass:
244.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
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