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2-[(carboxymethyl)sulfanyl]propanoic acid

2-[(carboxymethyl)sulfanyl]propanoic acid

CAS: 14618-66-7

Formula: C5H8O4S

SMILES: CC(SCC(O)=O)C(O)=O

IUPAC: 2-[(carboxymethyl)sulfanyl]propanoic acid

InChI: InChI=1/C5H8O4S/c1-3(5(8)9)10-2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)

Composition: C (36.58%), H (4.91%), O (38.98%), S (19.53%)

Molar Mass: 164.18

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 164.014329912
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UEHXJEXLYJVLTJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.85
Topological Polar Surface Area 74.6
Polarizability 14.23
Ring Count 0
Rotatable Bond Count 4

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95% <2 Days 14618-66-7 $51.35-$442.46$51.35$63.37$86.31$442.46
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