Home Other Building Blocks 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid

2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid

CAS No.:
53030-41-4
Catalog Number:
AG019VXV
Molecular Formula:
C4H4N2O2S2
Molecular Weight:
176.2168
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Product Description
Catalog Number:
AG019VXV
Chemical Name:
2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
CAS Number:
53030-41-4
Molecular Formula:
C4H4N2O2S2
Molecular Weight:
176.2168
MDL Number:
MFCD06803684
IUPAC Name:
2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
InChI:
InChI=1S/C4H4N2O2S2/c7-3(8)1-9-4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChI Key:
DZXGDEPWZLFUEA-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nncs1
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.971g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.208g/mol
Monoisotopic Mass:
175.971g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Three-dimensional porous metal-organic frameworks exhibiting metamagnetic behaviors: synthesis, structure, adsorption, and magnetic properties. Inorganic chemistry 20100503
Properties