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23522-19-2 | 4-Thiazolidinone, 5-ethyl-3-(2-phenylethyl)-2-thioxo-
CAS No: 23522-19-2 Catalog No: AG002NK6 MDL No:
Product Description
Catalog Number:
AG002NK6
Chemical Name:
4-Thiazolidinone, 5-ethyl-3-(2-phenylethyl)-2-thioxo-
CAS Number:
23522-19-2
Molecular Formula:
C13H15NOS2
Molecular Weight:
265.3943
IUPAC Name:
5-ethyl-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NOS2/c1-2-11-12(15)14(13(16)17-11)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChI Key:
VBGOJAKJSUSSNV-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)CCc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.389g/mol
Monoisotopic Mass:
265.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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