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81254-81-1 | 2-Thiazolidinethione, 3-[2-(phenylmethoxy)benzoyl]-
CAS No: 81254-81-1 Catalog No: AG005F31 MDL No:
Product Description
Catalog Number:
AG005F31
Chemical Name:
2-Thiazolidinethione, 3-[2-(phenylmethoxy)benzoyl]-
CAS Number:
81254-81-1
Molecular Formula:
C17H15NO2S2
Molecular Weight:
329.4365
IUPAC Name:
(2-phenylmethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C17H15NO2S2/c19-16(18-10-11-22-17(18)21)14-8-4-5-9-15(14)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChI Key:
RYAAMYXHMYMWJK-UHFFFAOYSA-N
SMILES:
S=C1SCCN1C(=O)c1ccccc1OCc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.432g/mol
Monoisotopic Mass:
329.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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