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83783-59-9 | 4-Thiazolidinone,3-butyl-5-(3-ethyl-2-thiazolidinylidene)-2-thioxo-
CAS No: 83783-59-9 Catalog No: AG008I6M MDL No:
Product Description
Catalog Number:
AG008I6M
Chemical Name:
4-Thiazolidinone,3-butyl-5-(3-ethyl-2-thiazolidinylidene)-2-thioxo-
CAS Number:
83783-59-9
Molecular Formula:
C12H18N2OS3
Molecular Weight:
302.4791
IUPAC Name:
3-butyl-5-(3-ethyl-1,3-thiazolidin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H18N2OS3/c1-3-5-6-14-10(15)9(18-12(14)16)11-13(4-2)7-8-17-11/h3-8H2,1-2H3
InChI Key:
WCVARNXWMKUGKY-UHFFFAOYSA-N
SMILES:
CCCCN1C(=S)SC(=C2SCCN2CC)C1=O
EC Number:
280-794-5
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.469g/mol
Monoisotopic Mass:
302.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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