2-methylsulfonothioyloxyethanol

C3H8O3S2 — CID 54185582

IUPAC2-methylsulfonothioyloxyethanol
SMILESCS(=O)(=S)OCCO
InChIInChI=1S/C3H8O3S2/c1-8(5,7)6-3-2-4/h4H,2-3H2,1H3
InChIKeyPEWAOKNXFVGQOI-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.71
Rot. Bonds3

About 2-methylsulfonothioyloxyethanol

2-methylsulfonothioyloxyethanol (PubChem CID 54185582) has the molecular formula C3H8O3S2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methylsulfonothioyloxyethanol.

Molecular Properties

Compound Name2-methylsulfonothioyloxyethanol
PubChem CID54185582
Molecular FormulaC3H8O3S2
Molecular Weight156.23 g/mol
Exact Mass155.99
IUPAC Name2-methylsulfonothioyloxyethanol
SMILESCS(=O)(=S)OCCO
InChIInChI=1S/C3H8O3S2/c1-8(5,7)6-3-2-4/h4H,2-3H2,1H3
InChIKeyPEWAOKNXFVGQOI-UHFFFAOYSA-N
XLogP-0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonothioyloxyethanol?
The IUPAC name of 2-methylsulfonothioyloxyethanol (CID 54185582) is 2-methylsulfonothioyloxyethanol.
What is the SMILES notation for 2-methylsulfonothioyloxyethanol?
The canonical SMILES for 2-methylsulfonothioyloxyethanol is CS(=O)(=S)OCCO.
What is the InChIKey of 2-methylsulfonothioyloxyethanol?
The InChIKey is PEWAOKNXFVGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S2/c1-8(5,7)6-3-2-4/h4H,2-3H2,1H3.
What are the key properties of 2-methylsulfonothioyloxyethanol?
2-methylsulfonothioyloxyethanol has a molecular weight of 156.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonothioyloxyethanol is sourced from PubChem (CID 54185582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).