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21494-69-9 | 3-benzyl-5-ethyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 21494-69-9 Catalog No: AG007QB9 MDL No:
Product Description
Catalog Number:
AG007QB9
Chemical Name:
3-benzyl-5-ethyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
21494-69-9
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
IUPAC Name:
3-benzyl-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13NOS2/c1-2-10-11(14)13(12(15)16-10)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
UPRXQAHLBPEUBH-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)Cc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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