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119043-67-3 | Thiourea, N,N'-bis(3,4,5-trimethoxyphenyl)-
CAS No: 119043-67-3 Catalog No: AG000I47 MDL No:
Product Description
Catalog Number:
AG000I47
Chemical Name:
Thiourea, N,N'-bis(3,4,5-trimethoxyphenyl)-
CAS Number:
119043-67-3
Molecular Formula:
C19H24N2O6S
Molecular Weight:
408.4687
IUPAC Name:
1,3-bis(3,4,5-trimethoxyphenyl)thiourea
InChI:
InChI=1S/C19H24N2O6S/c1-22-13-7-11(8-14(23-2)17(13)26-5)20-19(28)21-12-9-15(24-3)18(27-6)16(10-12)25-4/h7-10H,1-6H3,(H2,20,21,28)
InChI Key:
RKSBOWKYQATFMQ-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=S)Nc2cc(OC)c(c(c2)OC)OC)cc(c1OC)OC
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.469g/mol
Monoisotopic Mass:
408.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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