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

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

CAS: 23616-15-1

Formula: C8H6N2O2S

SMILES: COC(=O)C1=CC=C2SN=NC2=C1

IUPAC: methyl 1,2,3-benzothiadiazole-5-carboxylate

InChI: InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3

Composition: C (49.48%), H (3.11%), N (14.42%), O (16.48%), S (16.51%)

Molar Mass: 194.21

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.014998615
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JCRFJMHWEAYQAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.24
Topological Polar Surface Area	52.08
Polarizability	19.23
Ring Count	2
Rotatable Bond Count	2

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