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Home > Indoles and Oxindole > 362502-77-0
362502-77-0 | 3-[2-(1H-indol-3-yl)ethyl]-1-(4-nitrophenyl)thiourea
CAS No: 362502-77-0 Catalog No: AG00ITHX MDL No:MFCD01567586
Product Description
Catalog Number:
AG00ITHX
Chemical Name:
3-[2-(1H-indol-3-yl)ethyl]-1-(4-nitrophenyl)thiourea
CAS Number:
362502-77-0
Molecular Formula:
C17H16N4O2S
Molecular Weight:
340.3995
MDL Number:
MFCD01567586
IUPAC Name:
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)thiourea
InChI:
InChI=1S/C17H16N4O2S/c22-21(23)14-7-5-13(6-8-14)20-17(24)18-10-9-12-11-19-16-4-2-1-3-15(12)16/h1-8,11,19H,9-10H2,(H2,18,20,24)
InChI Key:
SMDPWIHXDHLAHD-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)[N+](=O)[O-])NCCc1c[nH]c2c1cccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.401g/mol
Monoisotopic Mass:
340.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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