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83846-68-8 | 4-Thiazolidinone,3-ethyl-5-[2-(3-ethyl-4-methyl-2(3H)-thiazolylidene)ethylidene]-2-thioxo-
CAS No: 83846-68-8 Catalog No: AG008HV3 MDL No:
Product Description
Catalog Number:
AG008HV3
Chemical Name:
4-Thiazolidinone,3-ethyl-5-[2-(3-ethyl-4-methyl-2(3H)-thiazolylidene)ethylidene]-2-thioxo-
CAS Number:
83846-68-8
Molecular Formula:
C13H18N2OS3
Molecular Weight:
314.4898
IUPAC Name:
(5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-4-methyl-2H-1,3-thiazol-1-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H18N2OS3/c1-4-14-9-19(8-10(14)3)7-6-11-12(16)15(5-2)13(17)18-11/h6-8H,4-5,9H2,1-3H3/b11-6+
InChI Key:
MVQYTVVVGJFJBJ-IZZDOVSWSA-N
SMILES:
CCN1CS(=CC=C2SC(=S)N(C2=O)CC)C=C1C
EC Number:
281-046-0
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
314.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.48g/mol
Monoisotopic Mass:
314.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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