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89939-28-6 | 5-Thiophen-2-ylmethylene-imidazolidine-2,4-dione
CAS No: 89939-28-6 Catalog No: AG01672X MDL No:
Product Description
Catalog Number:
AG01672X
Chemical Name:
5-Thiophen-2-ylmethylene-imidazolidine-2,4-dione
CAS Number:
89939-28-6
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
(5E)-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-GQCTYLIASA-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
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