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Home > Imidazoles > 138610-40-9
138610-40-9 | 2,4-Imidazolidinedione, 5-(2-thienylmethylene)-, (Z)-
CAS No: 138610-40-9 Catalog No: AG00HVB3 MDL No:MFCD01193873
Product Description
Catalog Number:
AG00HVB3
Chemical Name:
2,4-Imidazolidinedione, 5-(2-thienylmethylene)-, (Z)-
CAS Number:
138610-40-9
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD01193873
IUPAC Name:
(5Z)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
InChI:
InChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-
InChI Key:
NKNQLJMAPSUXLZ-XQRVVYSFSA-N
SMILES:
O=C1NC(=O)/C(=C/c2cccs2)/N1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
| Anticonvulsant activity of phenylmethylenehydantoins: a structure-activity relationship study. | Journal of medicinal chemistry 20040311 |
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