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86052-20-2 | Thiourea, N-[(4-hydroxy-3-methoxyphenyl)methyl]-N'-octyl-
CAS No: 86052-20-2 Catalog No: AG008FQ7 MDL No:
Product Description
Catalog Number:
AG008FQ7
Chemical Name:
Thiourea, N-[(4-hydroxy-3-methoxyphenyl)methyl]-N'-octyl-
CAS Number:
86052-20-2
Molecular Formula:
C17H28N2O2S
Molecular Weight:
324.4814
IUPAC Name:
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-octylthiourea
InChI:
InChI=1S/C17H28N2O2S/c1-3-4-5-6-7-8-11-18-17(22)19-13-14-9-10-15(20)16(12-14)21-2/h9-10,12,20H,3-8,11,13H2,1-2H3,(H2,18,19,22)
InChI Key:
UFLQVWSMZGRRAU-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=S)NCc1ccc(c(c1)OC)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:
324.187g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.483g/mol
Monoisotopic Mass:
324.187g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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