3-methylthiophen-2-ylboronic acid

3-methylthiophen-2-ylboronic acid

CAS: 177735-09-0

Formula: C5H7BO2S

SMILES: CC1=C(SC=C1)B(O)O

IUPAC: (3-methylthiophen-2-yl)boronic acid

InChI: InChI=1S/C5H7BO2S/c1-4-2-3-9-5(4)6(7)8/h2-3,7-8H,1H3

Composition: C (42.30%), H (4.97%), B (7.61%), O (22.54%), S (22.58%)

Molar Mass: 141.98

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	142.025981
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MOOOGTOEKZWEJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.91
Topological Polar Surface Area	40.46
Polarizability	13.98
Ring Count	1
Rotatable Bond Count	1

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