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Home > Indoles and Oxindole > 1023556-71-9
1023556-71-9 | 1-(4-cyanophenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CAS No: 1023556-71-9 Catalog No: AG00IVCJ MDL No:MFCD02662168
Product Description
Catalog Number:
AG00IVCJ
Chemical Name:
1-(4-cyanophenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CAS Number:
1023556-71-9
Molecular Formula:
C18H16N4S
Molecular Weight:
320.4114
MDL Number:
MFCD02662168
IUPAC Name:
1-(4-cyanophenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
InChI:
InChI=1S/C18H16N4S/c19-11-13-5-7-15(8-6-13)22-18(23)20-10-9-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-10H2,(H2,20,22,23)
InChI Key:
CWBQHPSPUCWUCD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=S)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.414g/mol
Monoisotopic Mass:
320.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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