2-(ethylsulfanyl)benzoic acid

2-(ethylsulfanyl)benzoic acid

CAS: 21101-79-1

Formula: C9H10O2S

SMILES: CCSC1=CC=CC=C1C(O)=O

IUPAC: 2-(ethylsulfanyl)benzoic acid

InChI: InChI=1S/C9H10O2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Composition: C (59.32%), H (5.53%), O (17.56%), S (17.59%)

Molar Mass: 182.24

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.040150736
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GLGKZKZNXSHACI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.87
Topological Polar Surface Area	37.3
Polarizability	19.38
Ring Count	1
Rotatable Bond Count	3

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