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126193-44-0 | Thiourea, N-(5-methyl-2-phenyl-1H-indol-3-yl)-
CAS No: 126193-44-0 Catalog No: AG000S6U MDL No:
Product Description
Catalog Number:
AG000S6U
Chemical Name:
Thiourea, N-(5-methyl-2-phenyl-1H-indol-3-yl)-
CAS Number:
126193-44-0
Molecular Formula:
C16H15N3S
Molecular Weight:
281.3754
IUPAC Name:
(5-methyl-2-phenyl-1H-indol-3-yl)thiourea
InChI:
InChI=1S/C16H15N3S/c1-10-7-8-13-12(9-10)15(19-16(17)20)14(18-13)11-5-3-2-4-6-11/h2-9,18H,1H3,(H3,17,19,20)
InChI Key:
QWQSKYYRVFLURC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c([nH]c2c1cc(C)cc2)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.377g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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