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307538-96-1 | 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS No: 307538-96-1 Catalog No: AG019GPO MDL No:MFCD02990408
Product Description
Catalog Number:
AG019GPO
Chemical Name:
6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS Number:
307538-96-1
Molecular Formula:
C18H21NO3S2
Molecular Weight:
363.4942
MDL Number:
MFCD02990408
IUPAC Name:
6-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C18H21NO3S2/c1-2-13-7-9-14(10-8-13)12-15-17(22)19(18(23)24-15)11-5-3-4-6-16(20)21/h7-10,12H,2-6,11H2,1H3,(H,20,21)
InChI Key:
XAUGGZNAAJOCKK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.49g/mol
Monoisotopic Mass:
363.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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