(2R)-2-hydroxybutanethioic S-acid

C4H8O2S — CID 87799319

IUPAC(2R)-2-hydroxybutanethioic S-acid
SMILESCC[C@@H](O)C(=O)S
InChIInChI=1S/C4H8O2S/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyBKZALUMCFWOMKJ-GSVOUGTGSA-N
MW120.17 g/mol
LogP0.21
Rot. Bonds2

About (2R)-2-hydroxybutanethioic S-acid

(2R)-2-hydroxybutanethioic S-acid (PubChem CID 87799319) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (2R)-2-hydroxybutanethioic S-acid.

Molecular Properties

Compound Name(2R)-2-hydroxybutanethioic S-acid
PubChem CID87799319
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(2R)-2-hydroxybutanethioic S-acid
SMILESCC[C@@H](O)C(=O)S
InChIInChI=1S/C4H8O2S/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyBKZALUMCFWOMKJ-GSVOUGTGSA-N
XLogP0.21
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxybutanethioic S-acid?
The IUPAC name of (2R)-2-hydroxybutanethioic S-acid (CID 87799319) is (2R)-2-hydroxybutanethioic S-acid.
What is the SMILES notation for (2R)-2-hydroxybutanethioic S-acid?
The canonical SMILES for (2R)-2-hydroxybutanethioic S-acid is CC[C@@H](O)C(=O)S.
What is the InChIKey of (2R)-2-hydroxybutanethioic S-acid?
The InChIKey is BKZALUMCFWOMKJ-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8O2S/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-hydroxybutanethioic S-acid?
(2R)-2-hydroxybutanethioic S-acid has a molecular weight of 120.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxybutanethioic S-acid is sourced from PubChem (CID 87799319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).