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23405-68-7 | 4-Thiazolidinone, 3-ethyl-5-[2-(1-ethyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-
CAS No: 23405-68-7 Catalog No: AG002N4S MDL No:
Product Description
Catalog Number:
AG002N4S
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-[2-(1-ethyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-
CAS Number:
23405-68-7
Molecular Formula:
C13H18N2OS2
Molecular Weight:
282.4248
IUPAC Name:
3-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H18N2OS2/c1-3-14-9-5-6-10(14)7-8-11-12(16)15(4-2)13(17)18-11/h7-8H,3-6,9H2,1-2H3
InChI Key:
KKACEFKPAJPBRW-UHFFFAOYSA-N
SMILES:
CCN1CCCC1=CC=C1SC(=S)N(C1=O)CC
EC Number:
245-636-1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.42g/mol
Monoisotopic Mass:
282.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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