[3-(hydroxymethyl)thietan-3-yl]methanol

C5H10O2S — CID 21463372

IUPAC[3-(hydroxymethyl)thietan-3-yl]methanol
SMILESOCC1(CO)CSC1
InChIInChI=1S/C5H10O2S/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
InChIKeyAUUTXOYRXQOPFB-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.30
Rot. Bonds2

About [3-(hydroxymethyl)thietan-3-yl]methanol

[3-(hydroxymethyl)thietan-3-yl]methanol (PubChem CID 21463372) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is [3-(hydroxymethyl)thietan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)thietan-3-yl]methanol
PubChem CID21463372
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name[3-(hydroxymethyl)thietan-3-yl]methanol
SMILESOCC1(CO)CSC1
InChIInChI=1S/C5H10O2S/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
InChIKeyAUUTXOYRXQOPFB-UHFFFAOYSA-N
XLogP-0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)thietan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)thietan-3-yl]methanol (CID 21463372) is [3-(hydroxymethyl)thietan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)thietan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)thietan-3-yl]methanol is OCC1(CO)CSC1.
What is the InChIKey of [3-(hydroxymethyl)thietan-3-yl]methanol?
The InChIKey is AUUTXOYRXQOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2.
What are the key properties of [3-(hydroxymethyl)thietan-3-yl]methanol?
[3-(hydroxymethyl)thietan-3-yl]methanol has a molecular weight of 134.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)thietan-3-yl]methanol is sourced from PubChem (CID 21463372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).