3-(acetylsulfanyl)propanoic acid

3-(acetylsulfanyl)propanoic acid

CAS: 41345-70-4

Formula: C5H8O3S

SMILES: CC(=O)SCCC(O)=O

IUPAC: 3-(acetylsulfanyl)propanoic acid

InChI: InChI=1S/C5H8O3S/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8)

Composition: C (40.53%), H (5.44%), O (32.39%), S (21.64%)

Molar Mass: 148.18

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	148.019415292
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AYQXANXXZYKTDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.54
Topological Polar Surface Area	54.37
Polarizability	13.72
Ring Count	0
Rotatable Bond Count	4

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