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126193-42-8 | Thiourea, N-(2-phenyl-1H-indol-3-yl)-
CAS No: 126193-42-8 Catalog No: AG000S6W MDL No:
Product Description
Catalog Number:
AG000S6W
Chemical Name:
Thiourea, N-(2-phenyl-1H-indol-3-yl)-
CAS Number:
126193-42-8
Molecular Formula:
C15H13N3S
Molecular Weight:
267.3488
IUPAC Name:
(2-phenyl-1H-indol-3-yl)thiourea
InChI:
InChI=1S/C15H13N3S/c16-15(19)18-14-11-8-4-5-9-12(11)17-13(14)10-6-2-1-3-7-10/h1-9,17H,(H3,16,18,19)
InChI Key:
RRLZYOFNVNUYNM-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.35g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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