2-(ethylsulfanyl)propanoic acid

2-(ethylsulfanyl)propanoic acid

CAS: 20461-87-4

Formula: C5H10O2S

SMILES: CCSC(C)C(O)=O

IUPAC: 2-(ethylsulfanyl)propanoic acid

InChI: InChI=1/C5H10O2S/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

Composition: C (44.75%), H (7.51%), O (23.84%), S (23.89%)

Molar Mass: 134.19

Atom Count: 18

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	134.040150736
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QSPCCDNHTPQDKL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.42
Topological Polar Surface Area	37.3
Polarizability	13.55
Ring Count	0
Rotatable Bond Count	3

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