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

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

CAS: 183298-93-3

Formula: C5H6N2O2S

SMILES: COC(=O)C1=C(C)N=NS1

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

InChI: InChI=1S/C5H6N2O2S/c1-3-4(5(8)9-2)10-7-6-3/h1-2H3

Composition: C (37.97%), H (3.82%), N (17.71%), O (20.23%), S (20.27%)

Molar Mass: 158.18

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	158.014998615
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DHWHVXWZHNDIDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.76
Topological Polar Surface Area	52.08
Polarizability	13.64
Ring Count	1
Rotatable Bond Count	2

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