4-methylsulfonyl-1,1-dioxothiolan-3-ol

C5H10O5S2 — CID 2736578

IUPAC4-methylsulfonyl-1,1-dioxothiolan-3-ol
SMILESCS(=O)(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3
InChIKeyXLOUZKLQIAFCNQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-1.81
Rot. Bonds1

About 4-methylsulfonyl-1,1-dioxothiolan-3-ol

4-methylsulfonyl-1,1-dioxothiolan-3-ol (PubChem CID 2736578) has the molecular formula C5H10O5S2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-methylsulfonyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1,1-dioxothiolan-3-ol
PubChem CID2736578
Molecular FormulaC5H10O5S2
Molecular Weight214.26 g/mol
Exact Mass214.00
IUPAC Name4-methylsulfonyl-1,1-dioxothiolan-3-ol
SMILESCS(=O)(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3
InChIKeyXLOUZKLQIAFCNQ-UHFFFAOYSA-N
XLogP-1.81
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-methylsulfonyl-1,1-dioxothiolan-3-ol (CID 2736578) is 4-methylsulfonyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-methylsulfonyl-1,1-dioxothiolan-3-ol is CS(=O)(=O)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-methylsulfonyl-1,1-dioxothiolan-3-ol?
The InChIKey is XLOUZKLQIAFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3.
What are the key properties of 4-methylsulfonyl-1,1-dioxothiolan-3-ol?
4-methylsulfonyl-1,1-dioxothiolan-3-ol has a molecular weight of 214.26 g/mol, XLogP of -1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2736578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).