tert-butyl ethanesulfinate

C6H14O2S — CID 89144863

IUPACtert-butyl ethanesulfinate
SMILESCCS(=O)OC(C)(C)C
InChIInChI=1S/C6H14O2S/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3
InChIKeyUYBBCYHGHCNBMQ-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl ethanesulfinate

tert-butyl ethanesulfinate (PubChem CID 89144863) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is tert-butyl ethanesulfinate.

Molecular Properties

Compound Nametert-butyl ethanesulfinate
PubChem CID89144863
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Nametert-butyl ethanesulfinate
SMILESCCS(=O)OC(C)(C)C
InChIInChI=1S/C6H14O2S/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3
InChIKeyUYBBCYHGHCNBMQ-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-methyl-1-propanesulfonyl chloride
CID 22636775
Tert-butyl methanesulfinate
CID 20710414
Sodium 3-methoxy-3-methylbutane-1-sulfinate
CID 130538117
Tert-butyl propane-2-sulfinate
CID 85564295
4,4-Dimethylthiabutyrolactone
CID 126752016
(1-Fluoro-2-methylpropan-2-yl) ethanesulfonate
CID 87624976
Tert-butyl 2-fluoroethanesulfonate
CID 87624977
Tert-butyl 3-fluoropropane-1-sulfonate
CID 174368581
4,4-Dimethyloxathietane 2,2-dioxide
CID 85544238
4-Ethyl-4-methyloxathietane 2,2-dioxide
CID 134994493
Tert-butyl propane-2-sulfonate
CID 14785592
2-Hydroxy-2-methylpropane-1-sulfonate
CID 18457604

Frequently Asked Questions

What is the IUPAC name of tert-butyl ethanesulfinate?
The IUPAC name of tert-butyl ethanesulfinate (CID 89144863) is tert-butyl ethanesulfinate.
What is the SMILES notation for tert-butyl ethanesulfinate?
The canonical SMILES for tert-butyl ethanesulfinate is CCS(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl ethanesulfinate?
The InChIKey is UYBBCYHGHCNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3.
What are the key properties of tert-butyl ethanesulfinate?
tert-butyl ethanesulfinate has a molecular weight of 150.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl ethanesulfinate is sourced from PubChem (CID 89144863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).