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828299-72-5 | (5E)-5-(ETHOXYMETHYLENE)-3-(2-PHENYLETHYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
CAS No: 828299-72-5 Catalog No: AG01AO5A MDL No:MFCD04133224
Product Description
Catalog Number:
AG01AO5A
Chemical Name:
(5E)-5-(ETHOXYMETHYLENE)-3-(2-PHENYLETHYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
CAS Number:
828299-72-5
Molecular Formula:
C14H15NO2S2
Molecular Weight:
293.4044
MDL Number:
MFCD04133224
IUPAC Name:
5-(ethoxymethylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H15NO2S2/c1-2-17-10-12-13(16)15(14(18)19-12)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChI Key:
NOPWLPLYQGXTLE-UHFFFAOYSA-N
SMILES:
CCOC=C1SC(=S)N(C1=O)CCc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.399g/mol
Monoisotopic Mass:
293.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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