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6-[(2-methylpropyl)sulfanyl]pyridin-3-ylboronic acid

6-[(2-methylpropyl)sulfanyl]pyridin-3-ylboronic acid

CAS: 1218790-69-2

Formula: C9H14BNO2S

SMILES: CC(C)CSC1=CC=C(C=N1)B(O)O

IUPAC: {6-[(2-methylpropyl)sulfanyl]pyridin-3-yl}boronic acid

InChI: InChI=1S/C9H14BNO2S/c1-7(2)6-14-9-4-3-8(5-11-9)10(12)13/h3-5,7,12-13H,6H2,1-2H3

Composition: C (51.21%), H (6.69%), B (5.12%), N (6.64%), O (15.16%), S (15.19%)

Molar Mass: 211.09

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.08383
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RYVQQLHCZKHBIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.31
Topological Polar Surface Area 53.35
Polarizability 23.06
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1218790-69-2 $246.10-$1,386.90$246.10$572.70$1,386.90
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