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87294-11-9 | Carbamothioic acid, [4-([1,1'-biphenyl]-4-yloxy)phenyl]-, S-methyl ester
CAS No: 87294-11-9 Catalog No: AG004HYR MDL No:
Product Description
Catalog Number:
AG004HYR
Chemical Name:
Carbamothioic acid, [4-([1,1'-biphenyl]-4-yloxy)phenyl]-, S-methyl ester
CAS Number:
87294-11-9
Molecular Formula:
C20H17NO2S
Molecular Weight:
335.4195
IUPAC Name:
S-methyl N-[4-(4-phenylphenoxy)phenyl]carbamothioate
InChI:
InChI=1S/C20H17NO2S/c1-24-20(22)21-17-9-13-19(14-10-17)23-18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)
InChI Key:
GZQDIMIJQXADKC-UHFFFAOYSA-N
SMILES:
CSC(=O)Nc1ccc(cc1)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.421g/mol
Monoisotopic Mass:
335.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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