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1022-55-5 | 3-Thiazolidineacetic acid, 5-(3-isoxazolylmethylene)-4-oxo-2-thioxo-
CAS No: 1022-55-5 Catalog No: AG0006W2 MDL No:
Product Description
Catalog Number:
AG0006W2
Chemical Name:
3-Thiazolidineacetic acid, 5-(3-isoxazolylmethylene)-4-oxo-2-thioxo-
CAS Number:
1022-55-5
Molecular Formula:
C9H6N2O4S2
Molecular Weight:
270.2849
IUPAC Name:
2-[5-(1,2-oxazol-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
InChI:
InChI=1S/C9H6N2O4S2/c12-7(13)4-11-8(14)6(17-9(11)16)3-5-1-2-15-10-5/h1-3H,4H2,(H,12,13)
InChI Key:
JRZKLNUWPUKBIO-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=S)SC(=Cc2nocc2)C1=O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.977g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.277g/mol
Monoisotopic Mass:
269.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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