1-tert-butylsulfinylpropan-2-ol

C7H16O2S — CID 545153

IUPAC1-tert-butylsulfinylpropan-2-ol
SMILESCC(O)CS(=O)C(C)(C)C
InChIInChI=1S/C7H16O2S/c1-6(8)5-10(9)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyYYFGSNMHNCRXRS-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.91
Rot. Bonds2

About 1-tert-butylsulfinylpropan-2-ol

1-tert-butylsulfinylpropan-2-ol (PubChem CID 545153) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-tert-butylsulfinylpropan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfinylpropan-2-ol
PubChem CID545153
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-tert-butylsulfinylpropan-2-ol
SMILESCC(O)CS(=O)C(C)(C)C
InChIInChI=1S/C7H16O2S/c1-6(8)5-10(9)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyYYFGSNMHNCRXRS-UHFFFAOYSA-N
XLogP0.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((2-Hydroxyethyl)thio)propan-2-ol
CID 110919
2-Propanol, 1,1'-thiobis-
CID 95454
1-Methanesulfonylpropan-2-ol
CID 121569
1-(Butylsulfanyl)propan-2-ol
CID 3041052
1-Ethanol, 2-(butylsulfinyl)-
CID 12518262
1-Ethylsulfinyl-3-fluoropropan-2-ol
CID 59155067
1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol
CID 89243111
2-Tert-butylsulfinylethanol
CID 303410
1-(Ethylsulfonyl)propan-2-ol
CID 305531
3-Tert-butylsulfinylpropan-1-ol
CID 12300965
3,7-Dimethyl-5-thianonan-2,8-diol-5-oxide
CID 129773576
Oxyethylisopropyl sulfoxide
CID 129823681

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinylpropan-2-ol?
The IUPAC name of 1-tert-butylsulfinylpropan-2-ol (CID 545153) is 1-tert-butylsulfinylpropan-2-ol.
What is the SMILES notation for 1-tert-butylsulfinylpropan-2-ol?
The canonical SMILES for 1-tert-butylsulfinylpropan-2-ol is CC(O)CS(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfinylpropan-2-ol?
The InChIKey is YYFGSNMHNCRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-6(8)5-10(9)7(2,3)4/h6,8H,5H2,1-4H3.
What are the key properties of 1-tert-butylsulfinylpropan-2-ol?
1-tert-butylsulfinylpropan-2-ol has a molecular weight of 164.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinylpropan-2-ol is sourced from PubChem (CID 545153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).