ethyl 2-methylbutane-2-sulfinate

C7H16O2S — CID 134995379

IUPACethyl 2-methylbutane-2-sulfinate
SMILESCCOS(=O)C(C)(C)CC
InChIInChI=1S/C7H16O2S/c1-5-7(3,4)10(8)9-6-2/h5-6H2,1-4H3
InChIKeyMAXRPEXGQJCAFI-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-methylbutane-2-sulfinate

ethyl 2-methylbutane-2-sulfinate (PubChem CID 134995379) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is ethyl 2-methylbutane-2-sulfinate.

Molecular Properties

Compound Nameethyl 2-methylbutane-2-sulfinate
PubChem CID134995379
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Nameethyl 2-methylbutane-2-sulfinate
SMILESCCOS(=O)C(C)(C)CC
InChIInChI=1S/C7H16O2S/c1-5-7(3,4)10(8)9-6-2/h5-6H2,1-4H3
InChIKeyMAXRPEXGQJCAFI-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-methylbutane-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylbutane-2-sulfinate?
The IUPAC name of ethyl 2-methylbutane-2-sulfinate (CID 134995379) is ethyl 2-methylbutane-2-sulfinate.
What is the SMILES notation for ethyl 2-methylbutane-2-sulfinate?
The canonical SMILES for ethyl 2-methylbutane-2-sulfinate is CCOS(=O)C(C)(C)CC.
What is the InChIKey of ethyl 2-methylbutane-2-sulfinate?
The InChIKey is MAXRPEXGQJCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-5-7(3,4)10(8)9-6-2/h5-6H2,1-4H3.
What are the key properties of ethyl 2-methylbutane-2-sulfinate?
ethyl 2-methylbutane-2-sulfinate has a molecular weight of 164.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylbutane-2-sulfinate is sourced from PubChem (CID 134995379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).