(2S)-2-hydroxy-2-phenylsulfanylacetic acid

C8H8O3S — CID 69088951

IUPAC(2S)-2-hydroxy-2-phenylsulfanylacetic acid
SMILESO=C(O)[C@@H](O)Sc1ccccc1
InChIInChI=1S/C8H8O3S/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5,8,11H,(H,9,10)/t8-/m0/s1
InChIKeyGKMPDVZTIXEMFD-QMMMGPOBSA-N
MW184.22 g/mol
LogP1.18
Rot. Bonds3

About (2S)-2-hydroxy-2-phenylsulfanylacetic acid

(2S)-2-hydroxy-2-phenylsulfanylacetic acid (PubChem CID 69088951) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylsulfanylacetic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylsulfanylacetic acid
PubChem CID69088951
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name(2S)-2-hydroxy-2-phenylsulfanylacetic acid
SMILESO=C(O)[C@@H](O)Sc1ccccc1
InChIInChI=1S/C8H8O3S/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5,8,11H,(H,9,10)/t8-/m0/s1
InChIKeyGKMPDVZTIXEMFD-QMMMGPOBSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid
CID 67936017
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
1-methoxy-1-phenylsulfanylpropan-2-one
CID 12617819
(2S)-3-hydroxy-3-methyl-2-phenylsulfanylbutanoic acid
CID 124639034
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
2-phenoxysulfonyl-2-phenylsulfanylacetic acid
CID 90746421
methyl (2R,3R)-3-hydroxy-3-phenyl-2-phenylsulfanylpropanoate
CID 10108177
(2S,3S)-2-methyl-3-phenyl-3-phenylsulfanylpropanoic acid
CID 95989478
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(2S)-2-phenylsulfanylpropanoate
CID 7127744
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylsulfanylacetic acid?
The IUPAC name of (2S)-2-hydroxy-2-phenylsulfanylacetic acid (CID 69088951) is (2S)-2-hydroxy-2-phenylsulfanylacetic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylsulfanylacetic acid?
The canonical SMILES for (2S)-2-hydroxy-2-phenylsulfanylacetic acid is O=C(O)[C@@H](O)Sc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylsulfanylacetic acid?
The InChIKey is GKMPDVZTIXEMFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8O3S/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5,8,11H,(H,9,10)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylsulfanylacetic acid?
(2S)-2-hydroxy-2-phenylsulfanylacetic acid has a molecular weight of 184.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylsulfanylacetic acid is sourced from PubChem (CID 69088951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).