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15059-29-7 | 6-(4-OXO-5-(3-PH-2-PROPENYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC +
CAS No: 15059-29-7 Catalog No: AG01C6F5 MDL No:MFCD02072278
Product Description
Catalog Number:
AG01C6F5
Chemical Name:
6-(4-OXO-5-(3-PH-2-PROPENYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC +
CAS Number:
15059-29-7
Molecular Formula:
C18H19NO3S2
Molecular Weight:
361.4784
MDL Number:
MFCD02072278
IUPAC Name:
6-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
InChI:
InChI=1S/C18H19NO3S2/c20-16(21)12-5-2-6-13-19-17(22)15(24-18(19)23)11-7-10-14-8-3-1-4-9-14/h1,3-4,7-11H,2,5-6,12-13H2,(H,20,21)
InChI Key:
BBSQLRKBOCURJB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=S)SC(=CC=Cc2ccccc2)C1=O
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.474g/mol
Monoisotopic Mass:
361.081g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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