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6319-47-7 | 5-(2-Thienylmethylene)-2-thioxothiazolidine-4-one
CAS No: 6319-47-7 Catalog No: AG00F3MT MDL No:
Product Description
Catalog Number:
AG00F3MT
Chemical Name:
5-(2-Thienylmethylene)-2-thioxothiazolidine-4-one
CAS Number:
6319-47-7
IUPAC Name:
(5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChI Key:
XLYORYAUKZCBPS-XQRVVYSFSA-N
NSC Number:
31054
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.314g/mol
Monoisotopic Mass:
226.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
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