(1-oxothiolan-3-yl)methanol

C5H10O2S — CID 83478853

IUPAC(1-oxothiolan-3-yl)methanol
SMILESO=S1CCC(CO)C1
InChIInChI=1S/C5H10O2S/c6-3-5-1-2-8(7)4-5/h5-6H,1-4H2
InChIKeyFTOYXQAFIROACT-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.25
Rot. Bonds1

About (1-oxothiolan-3-yl)methanol

(1-oxothiolan-3-yl)methanol (PubChem CID 83478853) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (1-oxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(1-oxothiolan-3-yl)methanol
PubChem CID83478853
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(1-oxothiolan-3-yl)methanol
SMILESO=S1CCC(CO)C1
InChIInChI=1S/C5H10O2S/c6-3-5-1-2-8(7)4-5/h5-6H,1-4H2
InChIKeyFTOYXQAFIROACT-UHFFFAOYSA-N
XLogP-0.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-1lambda6-thiolane-1,1-dione
CID 3694463
3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
Thiolan-3-ylmethanol
CID 20624486
Thiophene-2-ol, tetrahydro-, 1,1-dioxide
CID 18987500
(4-Fluoro-1,1-dioxothiolan-3-yl)methanol
CID 105433703
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanol
CID 105441984
[(3R,4S)-4-fluoro-1,1-dioxothiolan-3-yl]methanol
CID 105531122
[(3S,4S)-4-fluoro-1,1-dioxothiolan-3-yl]methanol
CID 105531352
3-Fluoro-3-(hydroxymethyl)-1lambda6-thiolane-1,1-dione
CID 126845894
[4-(Hydroxymethyl)thiolan-3-yl]methanol
CID 275342
4-Methyl-1,1-dioxothiolan-3-ol
CID 4119022
(3R,4R)-4-methyl-1,1-dioxothiolan-3-ol
CID 40453630

Frequently Asked Questions

What is the IUPAC name of (1-oxothiolan-3-yl)methanol?
The IUPAC name of (1-oxothiolan-3-yl)methanol (CID 83478853) is (1-oxothiolan-3-yl)methanol.
What is the SMILES notation for (1-oxothiolan-3-yl)methanol?
The canonical SMILES for (1-oxothiolan-3-yl)methanol is O=S1CCC(CO)C1.
What is the InChIKey of (1-oxothiolan-3-yl)methanol?
The InChIKey is FTOYXQAFIROACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-3-5-1-2-8(7)4-5/h5-6H,1-4H2.
What are the key properties of (1-oxothiolan-3-yl)methanol?
(1-oxothiolan-3-yl)methanol has a molecular weight of 134.20 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxothiolan-3-yl)methanol is sourced from PubChem (CID 83478853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).