5-formyl-4-methylthiophen-2-ylboronic acid

5-formyl-4-methylthiophen-2-ylboronic acid

CAS: 352530-25-7

Formula: C6H7BO3S

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

IUPAC: (5-formyl-4-methylthiophen-2-yl)boronic acid

InChI: InChI=1S/C6H7BO3S/c1-4-2-6(7(9)10)11-5(4)3-8/h2-3,9-10H,1H3

Composition: C (42.39%), H (4.15%), B (6.36%), O (28.24%), S (18.86%)

Molar Mass: 169.99

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.020895
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QEIXJCOHLUKRPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.28
Topological Polar Surface Area	57.53
Polarizability	15.94
Ring Count	1
Rotatable Bond Count	2

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