Home Carboxys Methyl 4-aMino-1,2,5-thiadiazole-3-carboxylate

Methyl 4-aMino-1,2,5-thiadiazole-3-carboxylate

CAS No.:
63875-18-3
Catalog Number:
AG00EIC2
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
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Product Description
Catalog Number:
AG00EIC2
Chemical Name:
Methyl 4-aMino-1,2,5-thiadiazole-3-carboxylate
CAS Number:
63875-18-3
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
MDL Number:
MFCD01208070
IUPAC Name:
methyl 4-amino-1,2,5-thiadiazole-3-carboxylate
InChI:
InChI=1S/C4H5N3O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3,(H2,5,7)
InChI Key:
DOLNBTMCAGQKDX-UHFFFAOYSA-N
SMILES:
COC(=O)c1nsnc1N
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:
0.8  
Properties