hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane

C4H10O2S2 — CID 6913930

IUPAChydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane
SMILESCC(C)CS(=O)(O)=S
InChIInChI=1S/C4H10O2S2/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChIKeyNKOKBKOGJKOUTJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane

hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane (PubChem CID 6913930) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane.

Molecular Properties

Compound Namehydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane
PubChem CID6913930
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Namehydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane
SMILESCC(C)CS(=O)(O)=S
InChIInChI=1S/C4H10O2S2/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChIKeyNKOKBKOGJKOUTJ-UHFFFAOYSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-butanesulfonic acid
CID 406989
1-Butanesulfinic acid
CID 12113170
Butyl-hydroxy-oxo-sulfanylidene-lambda6-sulfane
CID 12728839
2,2-Dimethyl-1-propanesulfonic acid
CID 409759
2-methylpropane-1-sulfonic Acid
CID 6455792
Isobutyl-sulphinic acid
CID 12672760
Potassium 3-(methylsulfonylthio)propanesulfonate
CID 420563
Propane-1-sulfonothioic O-acid
CID 12728837
Butane disulfonic acid
CID 22673385
2-Methylpropane-1,3-disulfonic acid
CID 54279752
3-Fluoro-2-methylpropane-1-sulfonic acid
CID 87118950
1-Fluoro-2-methylpropane-1-sulfinic acid
CID 141053221

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane?
The IUPAC name of hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane (CID 6913930) is hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane.
What is the SMILES notation for hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane?
The canonical SMILES for hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane is CC(C)CS(=O)(O)=S.
What is the InChIKey of hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane?
The InChIKey is NKOKBKOGJKOUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7).
What are the key properties of hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane?
hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylpropyl)-oxo-sulfanylidene-lambda6-sulfane is sourced from PubChem (CID 6913930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).