S-Acetyl-Cysteine
C₅H₉NO₃S·163.200 g/mol·CID 10130120
IUPAC: (2R)-3-acetylsulfanyl-2-aminopropanoic acid
Also known as: RefChem:884189, S-acetylcysteine, s-acetyl-l-cysteine, Cysteine, S-acetate, Cysteine, acetate (ester), L- (+10 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
163.200g/mol
Exact Mass
163.030314Da
Monoisotopic Mass
163.030314Da
XLogP
-2.9
Polar Surface Area
106.0Ų
Complexity
148
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
10
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 163.2 g/mol
MW ≤ 500
✓ -2.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Isomers8 compounds with formula C₅H₉NO₃S
(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 12035 · 163.2 g/mol
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483 · 163.2 g/mol
2-acetamido-3-sulfanylpropanoic acid
CID 581 · 163.2 g/mol
(2S)-2-acetamido-3-sulfanylpropanoic acid
CID 94364 · 163.2 g/mol
2-[[(2R)-2-sulfanylpropanoyl]amino]acetic acid
CID 208825 · 163.2 g/mol
2-(3-sulfanylpropanoylamino)acetic acid
CID 165505 · 163.2 g/mol
(2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
CID 54211755 · 166.2 g/mol
(4S)-4-amino-5-oxo-5-sulfanylpentanoic acid
CID 11768883 · 163.2 g/mol