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330855-07-7 | (5Z)-3-ethyl-5-[(5-iodo-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CAS No: 330855-07-7 Catalog No: AG00C5SD MDL No:MFCD01361760
Product Description
Catalog Number:
AG00C5SD
Chemical Name:
(5Z)-3-ethyl-5-[(5-iodo-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
330855-07-7
Molecular Formula:
C10H8INO2S2
Molecular Weight:
365.2105
MDL Number:
MFCD01361760
IUPAC Name:
3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H8INO2S2/c1-2-12-9(13)7(16-10(12)15)5-6-3-4-8(11)14-6/h3-5H,2H2,1H3
InChI Key:
SCVAFGWDLXPFBD-UHFFFAOYSA-N
SMILES:
CCN1C(=O)/C(=C/c2ccc(o2)I)/SC1=S
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.203g/mol
Monoisotopic Mass:
364.904g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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