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126193-43-9 | Thiourea, N-(5-chloro-2-phenyl-1H-indol-3-yl)-
CAS No: 126193-43-9 Catalog No: AG000S6V MDL No:
Product Description
Catalog Number:
AG000S6V
Chemical Name:
Thiourea, N-(5-chloro-2-phenyl-1H-indol-3-yl)-
CAS Number:
126193-43-9
Molecular Formula:
C15H12ClN3S
Molecular Weight:
301.7939
IUPAC Name:
(5-chloro-2-phenyl-1H-indol-3-yl)thiourea
InChI:
InChI=1S/C15H12ClN3S/c16-10-6-7-12-11(8-10)14(19-15(17)20)13(18-12)9-4-2-1-3-5-9/h1-8,18H,(H3,17,19,20)
InChI Key:
CRQUXYPEYQNQCK-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c([nH]c2c1cc(Cl)cc2)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.792g/mol
Monoisotopic Mass:
301.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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