propyl 2-methylbutane-2-sulfinate

C8H18O2S — CID 134994326

IUPACpropyl 2-methylbutane-2-sulfinate
SMILESCCCOS(=O)C(C)(C)CC
InChIInChI=1S/C8H18O2S/c1-5-7-10-11(9)8(3,4)6-2/h5-7H2,1-4H3
InChIKeyMYOZHNGSQGDBRP-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.27
Rot. Bonds5

About propyl 2-methylbutane-2-sulfinate

propyl 2-methylbutane-2-sulfinate (PubChem CID 134994326) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is propyl 2-methylbutane-2-sulfinate.

Molecular Properties

Compound Namepropyl 2-methylbutane-2-sulfinate
PubChem CID134994326
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Namepropyl 2-methylbutane-2-sulfinate
SMILESCCCOS(=O)C(C)(C)CC
InChIInChI=1S/C8H18O2S/c1-5-7-10-11(9)8(3,4)6-2/h5-7H2,1-4H3
InChIKeyMYOZHNGSQGDBRP-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2-methyl-2-propanesulfinate
CID 13539053
ethyl (R)-2-methylpropane-2-sulfinate
CID 13539054
Propyl 2-methylpropane-2-sulfinate
CID 13539056
propyl (R)-2-methylpropane-2-sulfinate
CID 13539057
Propan-2-yl 2-methylpropane-2-sulfinate
CID 13539059
Butyl 2-methylpropane-2-sulfinate
CID 13539062
butyl (R)-2-methylpropane-2-sulfinate
CID 13539063
(r)-t-Butyl t-butanethiolsulfinate
CID 129654800
Propan-2-yl 2-methylbutane-2-sulfinate
CID 134928147
Butyl 2-methylbutane-2-sulfinate
CID 134928148
Ethyl 2-methylbutane-2-sulfinate
CID 134995379
Ethyl 2-methylbutane-2-sulfonate
CID 22436750

Frequently Asked Questions

What is the IUPAC name of propyl 2-methylbutane-2-sulfinate?
The IUPAC name of propyl 2-methylbutane-2-sulfinate (CID 134994326) is propyl 2-methylbutane-2-sulfinate.
What is the SMILES notation for propyl 2-methylbutane-2-sulfinate?
The canonical SMILES for propyl 2-methylbutane-2-sulfinate is CCCOS(=O)C(C)(C)CC.
What is the InChIKey of propyl 2-methylbutane-2-sulfinate?
The InChIKey is MYOZHNGSQGDBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-5-7-10-11(9)8(3,4)6-2/h5-7H2,1-4H3.
What are the key properties of propyl 2-methylbutane-2-sulfinate?
propyl 2-methylbutane-2-sulfinate has a molecular weight of 178.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methylbutane-2-sulfinate is sourced from PubChem (CID 134994326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).