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648915-82-6 | 2,4-Thiazolidinedione, 5-(6-benzothiazolylmethylene)-
CAS No: 648915-82-6 Catalog No: AG006RBS MDL No:
Product Description
Catalog Number:
AG006RBS
Chemical Name:
2,4-Thiazolidinedione, 5-(6-benzothiazolylmethylene)-
CAS Number:
648915-82-6
Molecular Formula:
C11H6N2O2S2
Molecular Weight:
262.3075
IUPAC Name:
5-(1,3-benzothiazol-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H6N2O2S2/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)
InChI Key:
XIPKPAMFQCWQNO-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc3c(c2)scn3)S1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.301g/mol
Monoisotopic Mass:
261.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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