Home Carboxys methyl 5-amino-1,2,4-thiadiazole-3-carboxylate

methyl 5-amino-1,2,4-thiadiazole-3-carboxylate

CAS No.:
75028-16-9
Catalog Number:
AG00GR36
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
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Product Description
Catalog Number:
AG00GR36
Chemical Name:
methyl 5-amino-1,2,4-thiadiazole-3-carboxylate
CAS Number:
75028-16-9
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
MDL Number:
MFCD11975637
IUPAC Name:
methyl 5-amino-1,2,4-thiadiazole-3-carboxylate
InChI:
InChI=1S/C4H5N3O2S/c1-9-3(8)2-6-4(5)10-7-2/h1H3,(H2,5,6,7)
InChI Key:
HUTKBOFGPQYVEI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nsc(n1)N
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.01g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.163g/mol
Monoisotopic Mass:
159.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties