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Home Other Building Blocks Rhodanine-3-acetic acid

Rhodanine-3-acetic acid

CAS No.:
5718-83-2
Catalog Number:
AG0038MR
Molecular Formula:
C5H5NO3S2
Molecular Weight:
191.2281
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG0038MR
Chemical Name:
Rhodanine-3-acetic acid
CAS Number:
5718-83-2
Molecular Formula:
C5H5NO3S2
Molecular Weight:
191.2281
MDL Number:
MFCD06199283
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
InChI:
InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChI Key:
JGRMXPSUZIYDRR-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=S)SCC1=O
EC Number:
227-220-1
NSC Number:
40450
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.971g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.219g/mol
Monoisotopic Mass:
190.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Synthesis of new chalcone derivatives containing a rhodanine-3-acetic acid moiety with potential anti-bacterial activity. European journal of medicinal chemistry 20101201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Journal of medicinal chemistry 20051117
Properties