[(2R)-oxolan-2-yl]sulfanylformic acid

C5H8O3S — CID 87718897

IUPAC[(2R)-oxolan-2-yl]sulfanylformic acid
SMILESO=C(O)S[C@@H]1CCCO1
InChIInChI=1S/C5H8O3S/c6-5(7)9-4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyAAAXIMKDUALGLA-SCSAIBSYSA-N
MW148.18 g/mol
LogP1.53
Rot. Bonds1

About [(2R)-oxolan-2-yl]sulfanylformic acid

[(2R)-oxolan-2-yl]sulfanylformic acid (PubChem CID 87718897) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]sulfanylformic acid.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]sulfanylformic acid
PubChem CID87718897
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name[(2R)-oxolan-2-yl]sulfanylformic acid
SMILESO=C(O)S[C@@H]1CCCO1
InChIInChI=1S/C5H8O3S/c6-5(7)9-4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyAAAXIMKDUALGLA-SCSAIBSYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yldisulfanyl)oxolane
CID 87150973
oxolan-2-yl thiohypofluorite;tetrahydrofluoride
CID 173461744
(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
CID 816683
(2R)-2-amino-3-(oxan-2-ylsulfanyl)propanoic acid
CID 131631691
oxolane-2-carboxylic acid;silver
CID 160678639
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
oxan-2-ylsilylformic acid
CID 123628710
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660
S-(azetidin-2-yl) (2R)-oxolane-2-carbothioate
CID 175715531
(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585
2-(phenylsulfanylmethylsulfanyl)oxane
CID 15251861

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]sulfanylformic acid?
The IUPAC name of [(2R)-oxolan-2-yl]sulfanylformic acid (CID 87718897) is [(2R)-oxolan-2-yl]sulfanylformic acid.
What is the SMILES notation for [(2R)-oxolan-2-yl]sulfanylformic acid?
The canonical SMILES for [(2R)-oxolan-2-yl]sulfanylformic acid is O=C(O)S[C@@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]sulfanylformic acid?
The InChIKey is AAAXIMKDUALGLA-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-5(7)9-4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]sulfanylformic acid?
[(2R)-oxolan-2-yl]sulfanylformic acid has a molecular weight of 148.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]sulfanylformic acid is sourced from PubChem (CID 87718897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).