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Home Carboxys 4-Thiazolidinecarboxylicacid, 2-(4-hydroxyphenyl)-

4-Thiazolidinecarboxylicacid, 2-(4-hydroxyphenyl)-

CAS No.:
69588-11-0
Catalog Number:
AG005K3Z
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
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Product Description
Catalog Number:
AG005K3Z
Chemical Name:
4-Thiazolidinecarboxylicacid, 2-(4-hydroxyphenyl)-
CAS Number:
69588-11-0
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD00447478
IUPAC Name:
2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C10H11NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)
InChI Key:
TWPYJYQNZHPNGQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)c1ccc(cc1)O
NSC Number:
303515
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Design of mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and new structural templates. Journal of medicinal chemistry 20071115
Properties