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4917-76-4 | 2,2'-Thiodisuccinic acid
CAS No: 4917-76-4 Catalog No: AG003USB MDL No:MFCD00020502
Product Description
Catalog Number:
AG003USB
Chemical Name:
2,2'-Thiodisuccinic acid
CAS Number:
4917-76-4
Molecular Formula:
C8H10O8S
Molecular Weight:
266.2252
MDL Number:
MFCD00020502
IUPAC Name:
2-(1,2-dicarboxyethylsulfanyl)butanedioic acid
InChI:
InChI=1S/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChI Key:
SASYRHXVHLPMQD-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)O)SC(C(=O)O)CC(=O)O
EC Number:
225-544-8
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
266.22g/mol
Monoisotopic Mass:
266.01g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Initial evaluation of new 99mTc(CO)3 renal imaging agents having carboxyl-rich thioether ligands and chemical characterization of ReCO3 analogues. | Nuclear medicine and biology 20070801 |
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