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23538-11-6 | 4-Thiazolidinone, 3-(1-phenylethyl)-5-propyl-2-thioxo-
CAS No: 23538-11-6 Catalog No: AG002NLY MDL No:
Product Description
Catalog Number:
AG002NLY
Chemical Name:
4-Thiazolidinone, 3-(1-phenylethyl)-5-propyl-2-thioxo-
CAS Number:
23538-11-6
Molecular Formula:
C14H17NOS2
Molecular Weight:
279.4209
IUPAC Name:
3-(1-phenylethyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H17NOS2/c1-3-7-12-13(16)15(14(17)18-12)10(2)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChI Key:
RXOSSJBIFFUFCZ-UHFFFAOYSA-N
SMILES:
CCCC1SC(=S)N(C1=O)C(c1ccccc1)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.416g/mol
Monoisotopic Mass:
279.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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