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833482-72-7 | 3-Thiazolidineheptanoic acid, 4-oxo-2-thioxo-
CAS No: 833482-72-7 Catalog No: AG004W7V MDL No:
Product Description
Catalog Number:
AG004W7V
Chemical Name:
3-Thiazolidineheptanoic acid, 4-oxo-2-thioxo-
CAS Number:
833482-72-7
Molecular Formula:
C10H15NO3S2
Molecular Weight:
261.3610
IUPAC Name:
7-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)heptanoic acid
InChI:
InChI=1S/C10H15NO3S2/c12-8-7-16-10(15)11(8)6-4-2-1-3-5-9(13)14/h1-7H2,(H,13,14)
InChI Key:
RFZHBHAOBMPTRG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCN1C(=O)CSC1=S
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.354g/mol
Monoisotopic Mass:
261.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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