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21494-70-2 | 3-benzyl-5-propyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 21494-70-2 Catalog No: AG007QB8 MDL No:
Product Description
Catalog Number:
AG007QB8
Chemical Name:
3-benzyl-5-propyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
21494-70-2
Molecular Formula:
C13H15NOS2
Molecular Weight:
265.3943
IUPAC Name:
3-benzyl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NOS2/c1-2-6-11-12(15)14(13(16)17-11)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3
InChI Key:
FVOGHLIABCGHPL-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)Cc1ccccc1
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:
3.6
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