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88674-82-2 | (E);-2-Mercapto-5-((5-methylfuran-2-yl);methylene);thiazol-4(5H);-one
CAS No: 88674-82-2 Catalog No: AG0047O8 MDL No:MFCD03423525
Product Description
Catalog Number:
AG0047O8
Chemical Name:
(E);-2-Mercapto-5-((5-methylfuran-2-yl);methylene);thiazol-4(5H);-one
CAS Number:
88674-82-2
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
MDL Number:
MFCD03423525
IUPAC Name:
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(11)10-9(13)14-7/h2-4H,1H3,(H,10,11,13)/b7-4+
InChI Key:
UIWYMDIBJKBBKW-QPJJXVBHSA-N
SMILES:
Cc1ccc(o1)/C=C\1/SC(=NC1=O)S
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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