methyl 1,3-benzothiazole-7-carboxylate

methyl 1,3-benzothiazole-7-carboxylate

CAS: 1038509-28-2

Formula: C9H7NO2S

SMILES: COC(=O)C1=C2SC=NC2=CC=C1

IUPAC: methyl 1,3-benzothiazole-7-carboxylate

InChI: InChI=1S/C9H7NO2S/c1-12-9(11)6-3-2-4-7-8(6)13-5-10-7/h2-5H,1H3

Composition: C (55.95%), H (3.65%), N (7.25%), O (16.56%), S (16.59%)

Molar Mass: 193.22

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.019749643
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SVEZOHPWBLWBNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.15
Topological Polar Surface Area	39.19
Polarizability	20.06
Ring Count	2
Rotatable Bond Count	2

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