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872107-93-2 | 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CAS No: 872107-93-2 Catalog No: AG019OTO MDL No:MFCD07686059
Product Description
Catalog Number:
AG019OTO
Chemical Name:
1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CAS Number:
872107-93-2
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD07686059
IUPAC Name:
1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
InChI:
InChI=1S/C8H6N2O3S/c11-6-7(12)10(8(13)9-6)4-5-2-1-3-14-5/h1-3H,4H2,(H,9,11,13)
InChI Key:
XCEJXYMMXQBUBL-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=O)N1Cc1cccs1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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