Home Halogens 2-{[bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

2-{[bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

CAS No.:
893726-43-7
Catalog Number:
AG01A0Q4
Molecular Formula:
C16H13Cl2N5OS
Molecular Weight:
394.2783
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Product Description
Catalog Number:
AG01A0Q4
Chemical Name:
2-{[bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CAS Number:
893726-43-7
Molecular Formula:
C16H13Cl2N5OS
Molecular Weight:
394.2783
MDL Number:
MFCD07364297
IUPAC Name:
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
InChI:
InChI=1S/C16H13Cl2N5OS/c17-11-3-1-10(2-4-11)15-21-22-16(25-9-14(24)20-19)23(15)13-7-5-12(18)6-8-13/h1-8H,9,19H2,(H,20,24)
InChI Key:
GMTAWRXJZIKEGK-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.022g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
394.274g/mol
Monoisotopic Mass:
393.022g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties