2-(butylsulfanyl)benzoic acid

2-(butylsulfanyl)benzoic acid

CAS: 17839-61-1

Formula: C11H14O2S

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

IUPAC: 2-(butylsulfanyl)benzoic acid

InChI: InChI=1S/C11H14O2S/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

Composition: C (62.83%), H (6.71%), O (15.22%), S (15.25%)

Molar Mass: 210.29

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.071450865
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XBAKLNIZALFPMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60
Topological Polar Surface Area	37.3
Polarizability	23.06
Ring Count	1
Rotatable Bond Count	5

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