2-methyl-2-sulfanyloxypropane

C4H10OS — CID 22119457

IUPAC2-methyl-2-sulfanyloxypropane
SMILESCC(C)(C)OS
InChIInChI=1S/C4H10OS/c1-4(2,3)5-6/h6H,1-3H3
InChIKeyHXZUUPAHSHVFDZ-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.65
Rot. Bonds

About 2-methyl-2-sulfanyloxypropane

2-methyl-2-sulfanyloxypropane (PubChem CID 22119457) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-methyl-2-sulfanyloxypropane.

Molecular Properties

Compound Name2-methyl-2-sulfanyloxypropane
PubChem CID22119457
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-methyl-2-sulfanyloxypropane
SMILESCC(C)(C)OS
InChIInChI=1S/C4H10OS/c1-4(2,3)5-6/h6H,1-3H3
InChIKeyHXZUUPAHSHVFDZ-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfanyloxypropane?
The IUPAC name of 2-methyl-2-sulfanyloxypropane (CID 22119457) is 2-methyl-2-sulfanyloxypropane.
What is the SMILES notation for 2-methyl-2-sulfanyloxypropane?
The canonical SMILES for 2-methyl-2-sulfanyloxypropane is CC(C)(C)OS.
What is the InChIKey of 2-methyl-2-sulfanyloxypropane?
The InChIKey is HXZUUPAHSHVFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-4(2,3)5-6/h6H,1-3H3.
What are the key properties of 2-methyl-2-sulfanyloxypropane?
2-methyl-2-sulfanyloxypropane has a molecular weight of 106.19 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfanyloxypropane is sourced from PubChem (CID 22119457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).