1-(methoxymethyl)cyclopropane-1-sulfinic acid

C5H10O3S — CID 165449823

IUPAC1-(methoxymethyl)cyclopropane-1-sulfinic acid
SMILESCOCC1(S(=O)O)CC1
InChIInChI=1S/C5H10O3S/c1-8-4-5(2-3-5)9(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyGUOILLIFZJLMMI-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.39
Rot. Bonds3

About 1-(methoxymethyl)cyclopropane-1-sulfinic acid

1-(methoxymethyl)cyclopropane-1-sulfinic acid (PubChem CID 165449823) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name1-(methoxymethyl)cyclopropane-1-sulfinic acid
PubChem CID165449823
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-(methoxymethyl)cyclopropane-1-sulfinic acid
SMILESCOCC1(S(=O)O)CC1
InChIInChI=1S/C5H10O3S/c1-8-4-5(2-3-5)9(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyGUOILLIFZJLMMI-UHFFFAOYSA-N
XLogP0.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cyclopropane-1-sulfinic acid?
The IUPAC name of 1-(methoxymethyl)cyclopropane-1-sulfinic acid (CID 165449823) is 1-(methoxymethyl)cyclopropane-1-sulfinic acid.
What is the SMILES notation for 1-(methoxymethyl)cyclopropane-1-sulfinic acid?
The canonical SMILES for 1-(methoxymethyl)cyclopropane-1-sulfinic acid is COCC1(S(=O)O)CC1.
What is the InChIKey of 1-(methoxymethyl)cyclopropane-1-sulfinic acid?
The InChIKey is GUOILLIFZJLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-8-4-5(2-3-5)9(6)7/h2-4H2,1H3,(H,6,7).
What are the key properties of 1-(methoxymethyl)cyclopropane-1-sulfinic acid?
1-(methoxymethyl)cyclopropane-1-sulfinic acid has a molecular weight of 150.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cyclopropane-1-sulfinic acid is sourced from PubChem (CID 165449823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).