Home Carboxys 1,2,3-Thiadiazole-5-carboxylic acid

1,2,3-Thiadiazole-5-carboxylic acid

CAS No.:
4833-09-4
Catalog Number:
AG00DHXD
Molecular Formula:
C3H2N2O2S
Molecular Weight:
130.1252
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Product Description
Catalog Number:
AG00DHXD
Chemical Name:
1,2,3-Thiadiazole-5-carboxylic acid
CAS Number:
4833-09-4
Molecular Formula:
C3H2N2O2S
Molecular Weight:
130.1252
MDL Number:
MFCD00955540
IUPAC Name:
thiadiazole-5-carboxylic acid
InChI:
InChI=1S/C3H2N2O2S/c6-3(7)2-1-4-5-8-2/h1H,(H,6,7)
InChI Key:
BXCZJWHJYRELHY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnns1
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.984g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.121g/mol
Monoisotopic Mass:
129.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties