4-(butylsulfanyl)phenylboronic acid

4-(butylsulfanyl)phenylboronic acid

CAS: 151588-38-4

Formula: C10H15BO2S

SMILES: CCCCSC1=CC=C(C=C1)B(O)O

IUPAC: [4-(butylsulfanyl)phenyl]boronic acid

InChI: InChI=1S/C10H15BO2S/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

Composition: C (57.17%), H (7.20%), B (5.15%), O (15.23%), S (15.26%)

Molar Mass: 210.1

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.088581
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BZLVENAORLQLEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.29
Topological Polar Surface Area	40.46
Polarizability	23.95
Ring Count	1
Rotatable Bond Count	5

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