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5-formyl-2-methylthiophen-3-ylboronic acid

5-formyl-2-methylthiophen-3-ylboronic acid

CAS: 1310405-31-2

Formula: C6H7BO3S

SMILES: CC1=C(C=C(S1)C=O)B(O)O

IUPAC: (5-formyl-2-methylthiophen-3-yl)boronic acid

InChI: InChI=1S/C6H7BO3S/c1-4-6(7(9)10)2-5(3-8)11-4/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 GFALDVBFDRDLTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.13
Topological Polar Surface Area 57.53
Polarizability 15.94
Ring Count 1
Rotatable Bond Count 2

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