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89405-77-6 | Thiourea, N-(2-methylphenyl)-N'-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS No: 89405-77-6 Catalog No: AG003VT1 MDL No:
Product Description
Catalog Number:
AG003VT1
Chemical Name:
Thiourea, N-(2-methylphenyl)-N'-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS Number:
89405-77-6
Molecular Formula:
C17H17N3OS2
Molecular Weight:
343.4664
IUPAC Name:
1-(2-methylphenyl)-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)thiourea
InChI:
InChI=1S/C17H17N3OS2/c1-12-7-5-6-10-14(12)18-17(22)19-20-15(21)11-23-16(20)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3,(H2,18,19,22)
InChI Key:
RXZYETVCDFLIEF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1C)NN1C(=O)CSC1c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.081g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.463g/mol
Monoisotopic Mass:
343.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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