Home Carboxys Ethyl 1,3,4-thiadiazole-2-carboxylate

Ethyl 1,3,4-thiadiazole-2-carboxylate

CAS No.:
1378819-08-9
Catalog Number:
AG009K0A
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
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Product Description
Catalog Number:
AG009K0A
Chemical Name:
Ethyl 1,3,4-thiadiazole-2-carboxylate
CAS Number:
1378819-08-9
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD14155685
IUPAC Name:
ethyl 1,3,4-thiadiazole-2-carboxylate
InChI:
InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-7-6-3-10-4/h3H,2H2,1H3
InChI Key:
LFGGFUHHUHIYPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nncs1
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties