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Home > Fluorides > 121541-06-8
121541-06-8 | Thiourea, N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)-
CAS No: 121541-06-8 Catalog No: AG001590 MDL No:
Product Description
Catalog Number:
AG001590
Chemical Name:
Thiourea, N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)-
CAS Number:
121541-06-8
Molecular Formula:
C15H15FN2OS
Molecular Weight:
290.3558
IUPAC Name:
1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
InChI:
InChI=1S/C15H15FN2OS/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChI Key:
CQOFVOYTTOVJTE-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)F)NCC(c1ccccc1)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.356g/mol
Monoisotopic Mass:
290.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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