2-hydroxysulfanyloxypropane

C3H8O2S — CID 89110570

IUPAC2-hydroxysulfanyloxypropane
SMILESCC(C)OSO
InChIInChI=1S/C3H8O2S/c1-3(2)5-6-4/h3-4H,1-2H3
InChIKeyQIDXMWHRVFKURE-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.53
Rot. Bonds2

About 2-hydroxysulfanyloxypropane

2-hydroxysulfanyloxypropane (PubChem CID 89110570) has the molecular formula C3H8O2S and a molecular weight of 108.16 g/mol. Its IUPAC name is 2-hydroxysulfanyloxypropane.

Molecular Properties

Compound Name2-hydroxysulfanyloxypropane
PubChem CID89110570
Molecular FormulaC3H8O2S
Molecular Weight108.16 g/mol
Exact Mass108.02
IUPAC Name2-hydroxysulfanyloxypropane
SMILESCC(C)OSO
InChIInChI=1S/C3H8O2S/c1-3(2)5-6-4/h3-4H,1-2H3
InChIKeyQIDXMWHRVFKURE-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyloxypropane?
The IUPAC name of 2-hydroxysulfanyloxypropane (CID 89110570) is 2-hydroxysulfanyloxypropane.
What is the SMILES notation for 2-hydroxysulfanyloxypropane?
The canonical SMILES for 2-hydroxysulfanyloxypropane is CC(C)OSO.
What is the InChIKey of 2-hydroxysulfanyloxypropane?
The InChIKey is QIDXMWHRVFKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S/c1-3(2)5-6-4/h3-4H,1-2H3.
What are the key properties of 2-hydroxysulfanyloxypropane?
2-hydroxysulfanyloxypropane has a molecular weight of 108.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyloxypropane is sourced from PubChem (CID 89110570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).