(1,1-dioxothiolan-2-yl)methanol

C5H10O3S — CID 84763218

IUPAC(1,1-dioxothiolan-2-yl)methanol
SMILESO=S1(=O)CCCC1CO
InChIInChI=1S/C5H10O3S/c6-4-5-2-1-3-9(5,7)8/h5-6H,1-4H2
InChIKeyLMRSAJPNKCWDQI-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.44
Rot. Bonds1

About (1,1-dioxothiolan-2-yl)methanol

(1,1-dioxothiolan-2-yl)methanol (PubChem CID 84763218) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (1,1-dioxothiolan-2-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxothiolan-2-yl)methanol
PubChem CID84763218
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(1,1-dioxothiolan-2-yl)methanol
SMILESO=S1(=O)CCCC1CO
InChIInChI=1S/C5H10O3S/c6-4-5-2-1-3-9(5,7)8/h5-6H,1-4H2
InChIKeyLMRSAJPNKCWDQI-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-2-yl)methanol?
The IUPAC name of (1,1-dioxothiolan-2-yl)methanol (CID 84763218) is (1,1-dioxothiolan-2-yl)methanol.
What is the SMILES notation for (1,1-dioxothiolan-2-yl)methanol?
The canonical SMILES for (1,1-dioxothiolan-2-yl)methanol is O=S1(=O)CCCC1CO.
What is the InChIKey of (1,1-dioxothiolan-2-yl)methanol?
The InChIKey is LMRSAJPNKCWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-4-5-2-1-3-9(5,7)8/h5-6H,1-4H2.
What are the key properties of (1,1-dioxothiolan-2-yl)methanol?
(1,1-dioxothiolan-2-yl)methanol has a molecular weight of 150.20 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-2-yl)methanol is sourced from PubChem (CID 84763218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).