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23522-18-1 | 4-Thiazolidinone, 5-methyl-3-(2-phenylethyl)-2-thioxo-
CAS No: 23522-18-1 Catalog No: AG002NK7 MDL No:
Product Description
Catalog Number:
AG002NK7
Chemical Name:
4-Thiazolidinone, 5-methyl-3-(2-phenylethyl)-2-thioxo-
CAS Number:
23522-18-1
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
IUPAC Name:
5-methyl-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13NOS2/c1-9-11(14)13(12(15)16-9)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
BSPMWDAFVFMVPU-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1CCc1ccccc1)C
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:
3.2
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