tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane

C4H10OS2 — CID 14319346

IUPACtert-butyl-hydroxy-sulfanylidene-lambda4-sulfane
SMILESCC(C)(C)S(O)=S
InChIInChI=1S/C4H10OS2/c1-4(2,3)7(5)6/h1-3H3,(H,5,6)
InChIKeyXXHUIZXCNSVYID-UHFFFAOYSA-N
MW138.26 g/mol
LogP1.34
Rot. Bonds

About tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane

tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane (PubChem CID 14319346) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane.

Molecular Properties

Compound Nametert-butyl-hydroxy-sulfanylidene-lambda4-sulfane
PubChem CID14319346
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Nametert-butyl-hydroxy-sulfanylidene-lambda4-sulfane
SMILESCC(C)(C)S(O)=S
InChIInChI=1S/C4H10OS2/c1-4(2,3)7(5)6/h1-3H3,(H,5,6)
InChIKeyXXHUIZXCNSVYID-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dihydroxy(sulfanylidene)-λ4-sulfane;methane
CID 88995726
[ethyl(hydroxysulfinothioyl)amino]ethane
CID 87078499
tert-butyl-hydroxy-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 140955950
gallane;tris(2-methylpropan-2-ol)
CID 175569744
ethane-1,1,1-triol;hydrochloride
CID 21272946
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
methane;2-methylpropan-2-ol
CID 157161859
lithium 2-methylpropan-2-ol
CID 21120036
chloromethane;thiocarbonyl dichloride
CID 175090712

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane?
The IUPAC name of tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane (CID 14319346) is tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane.
What is the SMILES notation for tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane?
The canonical SMILES for tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane is CC(C)(C)S(O)=S.
What is the InChIKey of tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane?
The InChIKey is XXHUIZXCNSVYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c1-4(2,3)7(5)6/h1-3H3,(H,5,6).
What are the key properties of tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane?
tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane has a molecular weight of 138.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-sulfanylidene-lambda4-sulfane is sourced from PubChem (CID 14319346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).