1,1-dioxothiolan-2-ol

C4H8O3S — CID 18987500

IUPAC1,1-dioxothiolan-2-ol
SMILESO=S1(=O)CCCC1O
InChIInChI=1S/C4H8O3S/c5-4-2-1-3-8(4,6)7/h4-5H,1-3H2
InChIKeyQDRZGXHVBINHCR-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.49
Rot. Bonds

About 1,1-dioxothiolan-2-ol

1,1-dioxothiolan-2-ol (PubChem CID 18987500) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 1,1-dioxothiolan-2-ol.

Molecular Properties

Compound Name1,1-dioxothiolan-2-ol
PubChem CID18987500
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name1,1-dioxothiolan-2-ol
SMILESO=S1(=O)CCCC1O
InChIInChI=1S/C4H8O3S/c5-4-2-1-3-8(4,6)7/h4-5H,1-3H2
InChIKeyQDRZGXHVBINHCR-UHFFFAOYSA-N
XLogP-0.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxothiolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-2-ol?
The IUPAC name of 1,1-dioxothiolan-2-ol (CID 18987500) is 1,1-dioxothiolan-2-ol.
What is the SMILES notation for 1,1-dioxothiolan-2-ol?
The canonical SMILES for 1,1-dioxothiolan-2-ol is O=S1(=O)CCCC1O.
What is the InChIKey of 1,1-dioxothiolan-2-ol?
The InChIKey is QDRZGXHVBINHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-4-2-1-3-8(4,6)7/h4-5H,1-3H2.
What are the key properties of 1,1-dioxothiolan-2-ol?
1,1-dioxothiolan-2-ol has a molecular weight of 136.17 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-2-ol is sourced from PubChem (CID 18987500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).