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82158-64-3 | 3-Thiazolidineaceticacid, 5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-
CAS No: 82158-64-3 Catalog No: AG0050ZL MDL No:
Product Description
Catalog Number:
AG0050ZL
Chemical Name:
3-Thiazolidineaceticacid, 5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-
CAS Number:
82158-64-3
Molecular Formula:
C14H10N2O3S2
Molecular Weight:
318.3708
IUPAC Name:
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
InChI:
InChI=1S/C14H10N2O3S2/c17-12(18)7-16-13(19)11(21-14(16)20)5-8-6-15-10-4-2-1-3-9(8)10/h1-6,19H,7H2,(H,17,18)
InChI Key:
NWAKIGGEFKLHPE-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=S)SC(=Cc2c[nH]c3c2cccc3)C1=O
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.365g/mol
Monoisotopic Mass:
318.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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