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89405-79-8

89405-79-8 | Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3-thiazolidinyl)-

CAS No: 89405-79-8 Catalog No: AG003VT0 MDL No:

Product Description

Catalog Number:
AG003VT0
Chemical Name:
Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS Number:
89405-79-8
Molecular Formula:
C16H14ClN3OS2
Molecular Weight:
363.8849
IUPAC Name:
1-(4-chlorophenyl)-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)thiourea
InChI:
InChI=1S/C16H14ClN3OS2/c17-12-6-8-13(9-7-12)18-16(22)19-20-14(21)10-23-15(20)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,19,22)
InChI Key:
NIVFPBDFDVBUGZ-UHFFFAOYSA-N
SMILES:
S=C(NN1C(=O)CSC1c1ccccc1)Nc1ccc(cc1)Cl

Properties

Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.027g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
363.878g/mol
Monoisotopic Mass:
363.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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