2,1,3-benzothiadiazol-5-ylboronic acid

2,1,3-benzothiadiazol-5-ylboronic acid

Formula: C6H5BN2O2S

SMILES: OB(O)C1=CC2=NSN=C2C=C1

IUPAC: (2,1,3-benzothiadiazol-5-yl)boronic acid

InChI: InChI=1S/C6H5BN2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3,10-11H

Composition: C (40.04%), H (2.80%), B (6.01%), N (15.56%), O (17.78%), S (17.81%)

Molar Mass: 179.99

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	180.016479
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SVYULVDSJHWWAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.09
Topological Polar Surface Area	66.24
Polarizability	18.01
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C6H5BN2O2S		Quote Only