200,000+ products from a single source!
sales@angenechem.com
90947-00-5 | (E)-5-(4-IODOBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
CAS No: 90947-00-5 Catalog No: AG019F1X MDL No:MFCD00449708
Product Description
Catalog Number:
AG019F1X
Chemical Name:
(E)-5-(4-IODOBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
CAS Number:
90947-00-5
Molecular Formula:
C10H6INOS2
Molecular Weight:
347.1952
MDL Number:
MFCD00449708
IUPAC Name:
5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H6INOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
InChI Key:
LIRUBCDZKKWCPS-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)S/C/1=C/c1ccc(cc1)I
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.894g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.188g/mol
Monoisotopic Mass:
346.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.