(1,1-dioxothiolan-3-yl)methanol

C5H10O3S — CID 3694463

IUPAC(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(CO)C1
InChIInChI=1S/C5H10O3S/c6-3-5-1-2-9(7,8)4-5/h5-6H,1-4H2
InChIKeyPJKMZHYNDJRIHG-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.59
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)methanol

(1,1-dioxothiolan-3-yl)methanol (PubChem CID 3694463) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)methanol
PubChem CID3694463
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(CO)C1
InChIInChI=1S/C5H10O3S/c6-3-5-1-2-9(7,8)4-5/h5-6H,1-4H2
InChIKeyPJKMZHYNDJRIHG-UHFFFAOYSA-N
XLogP-0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (1,1-dioxothiolan-3-yl)methanol (CID 3694463) is (1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CCC(CO)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)methanol?
The InChIKey is PJKMZHYNDJRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-3-5-1-2-9(7,8)4-5/h5-6H,1-4H2.
What are the key properties of (1,1-dioxothiolan-3-yl)methanol?
(1,1-dioxothiolan-3-yl)methanol has a molecular weight of 150.20 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 3694463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).