2-hydroxy-3-phenylsulfanylpropanoic acid

C9H10O3S — CID 14591356

IUPAC2-hydroxy-3-phenylsulfanylpropanoic acid
SMILESO=C(O)C(O)CSc1ccccc1
InChIInChI=1S/C9H10O3S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKeyZODAXYLLKGRJLD-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.22
Rot. Bonds4

About 2-hydroxy-3-phenylsulfanylpropanoic acid

2-hydroxy-3-phenylsulfanylpropanoic acid (PubChem CID 14591356) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-hydroxy-3-phenylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenylsulfanylpropanoic acid
PubChem CID14591356
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-hydroxy-3-phenylsulfanylpropanoic acid
SMILESO=C(O)C(O)CSc1ccccc1
InChIInChI=1S/C9H10O3S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKeyZODAXYLLKGRJLD-UHFFFAOYSA-N
XLogP1.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
3-hydroxy-4-phenylsulfanylbutanoate
CID 22646094
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
ethyl 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoate
CID 23332067
ethyl (2S)-2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoate
CID 129389889
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
CID 54276659
6-hydroxy-2-methyl-7-phenylsulfanylheptan-3-one
CID 10682258
4-bromo-5-phenylsulfanylpentanoic acid
CID 86161671
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
(4S)-4-methyl-5-phenylsulfanylpentanoic acid
CID 154527066

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylsulfanylpropanoic acid?
The IUPAC name of 2-hydroxy-3-phenylsulfanylpropanoic acid (CID 14591356) is 2-hydroxy-3-phenylsulfanylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-phenylsulfanylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-phenylsulfanylpropanoic acid is O=C(O)C(O)CSc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenylsulfanylpropanoic acid?
The InChIKey is ZODAXYLLKGRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12).
What are the key properties of 2-hydroxy-3-phenylsulfanylpropanoic acid?
2-hydroxy-3-phenylsulfanylpropanoic acid has a molecular weight of 198.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylsulfanylpropanoic acid is sourced from PubChem (CID 14591356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).