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

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

CAS No.:
63875-20-7
Catalog Number:
AG01B1S4
Molecular Formula:
C4H4N2O2S
Molecular Weight:
144.1518
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Product Description
Catalog Number:
AG01B1S4
Chemical Name:
methyl 1,2,5-thiadiazole-3-carboxylate
CAS Number:
63875-20-7
Molecular Formula:
C4H4N2O2S
Molecular Weight:
144.1518
MDL Number:
MFCD23716997
IUPAC Name:
methyl 1,2,5-thiadiazole-3-carboxylate
InChI:
InChI=1S/C4H4N2O2S/c1-8-4(7)3-2-5-9-6-3/h2H,1H3
InChI Key:
UVQRGQPAPKBSGC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnsn1
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.999g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.148g/mol
Monoisotopic Mass:
143.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties