2-methyl-1,3-benzothiazol-5-ylboronic acid

2-methyl-1,3-benzothiazol-5-ylboronic acid

CAS: 590417-67-7

Formula: C8H8BNO2S

SMILES: CC1=NC2=CC(=CC=C2S1)B(O)O

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

InChI: InChI=1S/C8H8BNO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4,11-12H,1H3

Composition: C (49.78%), H (4.18%), B (5.60%), N (7.26%), O (16.58%), S (16.61%)

Molar Mass: 193.03

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.03688
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XFPZHJXTRXAWAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.11
Topological Polar Surface Area	53.35
Polarizability	20.59
Ring Count	2
Rotatable Bond Count	1

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