2-hydroxysulfanyloxy-2-methylpropane

C4H10O2S — CID 169106502

IUPAC2-hydroxysulfanyloxy-2-methylpropane
SMILESCC(C)(C)OSO
InChIInChI=1S/C4H10O2S/c1-4(2,3)6-7-5/h5H,1-3H3
InChIKeyXURLQXCFNAFUKL-UHFFFAOYSA-N
MW122.19 g/mol
LogP1.92
Rot. Bonds1

About 2-hydroxysulfanyloxy-2-methylpropane

2-hydroxysulfanyloxy-2-methylpropane (PubChem CID 169106502) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-hydroxysulfanyloxy-2-methylpropane.

Molecular Properties

Compound Name2-hydroxysulfanyloxy-2-methylpropane
PubChem CID169106502
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name2-hydroxysulfanyloxy-2-methylpropane
SMILESCC(C)(C)OSO
InChIInChI=1S/C4H10O2S/c1-4(2,3)6-7-5/h5H,1-3H3
InChIKeyXURLQXCFNAFUKL-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.92
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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Related Compounds

chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium
CID 23431625
2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
S-[(2-methylpropan-2-yl)oxy] benzenecarbothioate
CID 132992612
tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate
CID 151723070
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
tert-butyl N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676253
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
hydron;2-methoxy-2-methylpropane
CID 174107716
2-methoxy-2-methylpropane;hydrate
CID 23212559
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyloxy-2-methylpropane?
The IUPAC name of 2-hydroxysulfanyloxy-2-methylpropane (CID 169106502) is 2-hydroxysulfanyloxy-2-methylpropane.
What is the SMILES notation for 2-hydroxysulfanyloxy-2-methylpropane?
The canonical SMILES for 2-hydroxysulfanyloxy-2-methylpropane is CC(C)(C)OSO.
What is the InChIKey of 2-hydroxysulfanyloxy-2-methylpropane?
The InChIKey is XURLQXCFNAFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S/c1-4(2,3)6-7-5/h5H,1-3H3.
What are the key properties of 2-hydroxysulfanyloxy-2-methylpropane?
2-hydroxysulfanyloxy-2-methylpropane has a molecular weight of 122.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyloxy-2-methylpropane is sourced from PubChem (CID 169106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).