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

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

CAS: 869108-50-9

Formula: C6H8N2O2S

SMILES: CCOC(=O)C1=NN=C(C)S1

IUPAC: ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

InChI: InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-8-7-4(2)11-5/h3H2,1-2H3

Composition: C (41.85%), H (4.68%), N (16.27%), O (18.58%), S (18.62%)

Molar Mass: 172.2

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.03064868
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VMVKZLLIEGQHEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.08
Topological Polar Surface Area	52.08
Polarizability	15.44
Ring Count	1
Rotatable Bond Count	3

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