3-methoxythietane 1,1-dioxide

C4H8O3S — CID 57329464

IUPAC3-methoxythietane 1,1-dioxide
SMILESCOC1CS(=O)(=O)C1
InChIInChI=1S/C4H8O3S/c1-7-4-2-8(5,6)3-4/h4H,2-3H2,1H3
InChIKeyCEMACDJUDPLELS-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.57
Rot. Bonds1

About 3-methoxythietane 1,1-dioxide

3-methoxythietane 1,1-dioxide (PubChem CID 57329464) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 3-methoxythietane 1,1-dioxide.

Molecular Properties

Compound Name3-methoxythietane 1,1-dioxide
PubChem CID57329464
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name3-methoxythietane 1,1-dioxide
SMILESCOC1CS(=O)(=O)C1
InChIInChI=1S/C4H8O3S/c1-7-4-2-8(5,6)3-4/h4H,2-3H2,1H3
InChIKeyCEMACDJUDPLELS-UHFFFAOYSA-N
XLogP-0.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythietane 1,1-dioxide?
The IUPAC name of 3-methoxythietane 1,1-dioxide (CID 57329464) is 3-methoxythietane 1,1-dioxide.
What is the SMILES notation for 3-methoxythietane 1,1-dioxide?
The canonical SMILES for 3-methoxythietane 1,1-dioxide is COC1CS(=O)(=O)C1.
What is the InChIKey of 3-methoxythietane 1,1-dioxide?
The InChIKey is CEMACDJUDPLELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c1-7-4-2-8(5,6)3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methoxythietane 1,1-dioxide?
3-methoxythietane 1,1-dioxide has a molecular weight of 136.17 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythietane 1,1-dioxide is sourced from PubChem (CID 57329464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).