propan-2-yl propane-1-sulfinate

C6H14O2S — CID 23271047

IUPACpropan-2-yl propane-1-sulfinate
SMILESCCCS(=O)OC(C)C
InChIInChI=1S/C6H14O2S/c1-4-5-9(7)8-6(2)3/h6H,4-5H2,1-3H3
InChIKeyIBZKJUYOMCQJJA-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.49
Rot. Bonds4

About propan-2-yl propane-1-sulfinate

propan-2-yl propane-1-sulfinate (PubChem CID 23271047) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is propan-2-yl propane-1-sulfinate.

Molecular Properties

Compound Namepropan-2-yl propane-1-sulfinate
PubChem CID23271047
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Namepropan-2-yl propane-1-sulfinate
SMILESCCCS(=O)OC(C)C
InChIInChI=1S/C6H14O2S/c1-4-5-9(7)8-6(2)3/h6H,4-5H2,1-3H3
InChIKeyIBZKJUYOMCQJJA-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane
CID 57354437
azane;fluoro propane-1-sulfinate
CID 174229843
propan-2-yl propyl sulfite
CID 134895903
2-fluorosulfinyloxypropane
CID 23271043
3-propylsulfinylbutan-2-one
CID 64638271
dibutan-2-yl sulfite
CID 545722
1,2,3-trihydroxypropyl henicosane-1-sulfinate
CID 153301226
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
azanylidyne-oxo-propyl-λ6-sulfane
CID 90138662
1-(2,2-dimethoxyethylsulfinyl)propane
CID 66222196
fluoro butane-1-sulfinate
CID 86758562
ethyl (R)-butane-1-sulfinate
CID 175883335

Frequently Asked Questions

What is the IUPAC name of propan-2-yl propane-1-sulfinate?
The IUPAC name of propan-2-yl propane-1-sulfinate (CID 23271047) is propan-2-yl propane-1-sulfinate.
What is the SMILES notation for propan-2-yl propane-1-sulfinate?
The canonical SMILES for propan-2-yl propane-1-sulfinate is CCCS(=O)OC(C)C.
What is the InChIKey of propan-2-yl propane-1-sulfinate?
The InChIKey is IBZKJUYOMCQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-4-5-9(7)8-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of propan-2-yl propane-1-sulfinate?
propan-2-yl propane-1-sulfinate has a molecular weight of 150.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl propane-1-sulfinate is sourced from PubChem (CID 23271047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).