2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid

C10H12O6S — CID 67936017

IUPAC2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid
SMILESO=C(O)C(O)Sc1ccccc1.O=C(O)CO
InChIInChI=1S/C8H8O3S.C2H4O3/c9-7(10)8(11)12-6-4-2-1-3-5-6;3-1-2(4)5/h1-5,8,11H,(H,9,10);3H,1H2,(H,4,5)
InChIKeyUGOSOBNVALBUIT-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.25
Rot. Bonds4

About 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid

2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid (PubChem CID 67936017) has the molecular formula C10H12O6S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid
PubChem CID67936017
Molecular FormulaC10H12O6S
Molecular Weight260.27 g/mol
Exact Mass260.04
IUPAC Name2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid
SMILESO=C(O)C(O)Sc1ccccc1.O=C(O)CO
InChIInChI=1S/C8H8O3S.C2H4O3/c9-7(10)8(11)12-6-4-2-1-3-5-6;3-1-2(4)5/h1-5,8,11H,(H,9,10);3H,1H2,(H,4,5)
InChIKeyUGOSOBNVALBUIT-UHFFFAOYSA-N
XLogP0.25
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
3-hydroxy-4-phenylsulfanylpentanoic acid
CID 142656937
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
benzene;2-hydroxyacetic acid
CID 67764636
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
(2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid
CID 10682384
1-ethoxy-1-phenylsulfanylpropan-2-one
CID 12622843
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid?
The IUPAC name of 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid (CID 67936017) is 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid.
What is the SMILES notation for 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid?
The canonical SMILES for 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid is O=C(O)C(O)Sc1ccccc1.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid?
The InChIKey is UGOSOBNVALBUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C2H4O3/c9-7(10)8(11)12-6-4-2-1-3-5-6;3-1-2(4)5/h1-5,8,11H,(H,9,10);3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid?
2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid has a molecular weight of 260.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-hydroxy-2-phenylsulfanylacetic acid is sourced from PubChem (CID 67936017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).