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7553-43-7 | 5-{2,5,5-trioxo-hexahydro-1H-5lambda6-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
CAS No: 7553-43-7 Catalog No: AG019M54 MDL No:MFCD30180289
Product Description
Catalog Number:
AG019M54
Chemical Name:
5-{2,5,5-trioxo-hexahydro-1H-5lambda6-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
CAS Number:
7553-43-7
Molecular Formula:
C10H16N2O5S
Molecular Weight:
276.3094
MDL Number:
MFCD30180289
IUPAC Name:
5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
InChI:
InChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
InChI Key:
QPFQYMONYBAUCY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.307g/mol
Monoisotopic Mass:
276.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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