actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol

C4H8AcO3S — CID 20744762

IUPACactinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
SMILESOCC1OC(O)CS1.[Ac]
InChIInChI=1S/C4H8O3S.Ac/c5-1-4-7-3(6)2-8-4;/h3-6H,1-2H2;
InChIKeyAZDNWNNIPYWBIW-UHFFFAOYSA-N
MW363.17 g/mol
LogP-0.61
Rot. Bonds1

About actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol

actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol (PubChem CID 20744762) has the molecular formula C4H8AcO3S and a molecular weight of 363.17 g/mol. Its IUPAC name is actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol.

Molecular Properties

Compound Nameactinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
PubChem CID20744762
Molecular FormulaC4H8AcO3S
Molecular Weight363.17 g/mol
Exact Mass363.05
IUPAC Nameactinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
SMILESOCC1OC(O)CS1.[Ac]
InChIInChI=1S/C4H8O3S.Ac/c5-1-4-7-3(6)2-8-4;/h3-6H,1-2H2;
InChIKeyAZDNWNNIPYWBIW-UHFFFAOYSA-N
XLogP-0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
2-(4,5-Dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
CID 15043698
1,3-Oxathiolan-2-ylmethanol
CID 17877495
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760
2-(Hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744763
2-Methyl-1,3-oxathiolan-5-ol
CID 20744765
(5-Methoxy-1,3-oxathiolan-2-yl)methanol
CID 21262707
2-(Hydroxymethyl)-1,3-oxathiolan-4-ol
CID 21279158

Frequently Asked Questions

What is the IUPAC name of actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The IUPAC name of actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol (CID 20744762) is actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol.
What is the SMILES notation for actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The canonical SMILES for actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol is OCC1OC(O)CS1.[Ac].
What is the InChIKey of actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The InChIKey is AZDNWNNIPYWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.Ac/c5-1-4-7-3(6)2-8-4;/h3-6H,1-2H2;.
What are the key properties of actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol has a molecular weight of 363.17 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol is sourced from PubChem (CID 20744762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).