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23538-10-5 | 4-Thiazolidinone, 5-ethyl-3-(1-phenylethyl)-2-thioxo-
CAS No: 23538-10-5 Catalog No: AG002NLZ MDL No:
Product Description
Catalog Number:
AG002NLZ
Chemical Name:
4-Thiazolidinone, 5-ethyl-3-(1-phenylethyl)-2-thioxo-
CAS Number:
23538-10-5
Molecular Formula:
C13H15NOS2
Molecular Weight:
265.3943
IUPAC Name:
5-ethyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NOS2/c1-3-11-12(15)14(13(16)17-11)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChI Key:
ZFHWEHVYFFJLBE-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)C(c1ccccc1)C
Properties
Complexity:
313
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:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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