4-methyl-1,1-dioxothiolan-3-ol

C5H10O3S — CID 4119022

IUPAC4-methyl-1,1-dioxothiolan-3-ol
SMILESCC1CS(=O)(=O)CC1O
InChIInChI=1S/C5H10O3S/c1-4-2-9(7,8)3-5(4)6/h4-6H,2-3H2,1H3
InChIKeyOENLKROFTSXYHV-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.59
Rot. Bonds

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

4-methyl-1,1-dioxothiolan-3-ol (PubChem CID 4119022) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 4-methyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-methyl-1,1-dioxothiolan-3-ol
PubChem CID4119022
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name4-methyl-1,1-dioxothiolan-3-ol
SMILESCC1CS(=O)(=O)CC1O
InChIInChI=1S/C5H10O3S/c1-4-2-9(7,8)3-5(4)6/h4-6H,2-3H2,1H3
InChIKeyOENLKROFTSXYHV-UHFFFAOYSA-N
XLogP-0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-methyl-1,1-dioxothiolan-3-ol (CID 4119022) is 4-methyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-methyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-methyl-1,1-dioxothiolan-3-ol is CC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-methyl-1,1-dioxothiolan-3-ol?
The InChIKey is OENLKROFTSXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4-2-9(7,8)3-5(4)6/h4-6H,2-3H2,1H3.
What are the key properties of 4-methyl-1,1-dioxothiolan-3-ol?
4-methyl-1,1-dioxothiolan-3-ol has a molecular weight of 150.20 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 4119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).