propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane

C6H14OS2 — CID 57354437

IUPACpropan-2-yloxy-propyl-sulfanylidene-λ4-sulfane
SMILESCCCS(=S)OC(C)C
InChIInChI=1S/C6H14OS2/c1-4-5-9(8)7-6(2)3/h6H,4-5H2,1-3H3
InChIKeyGQDITBXCUGYQAI-UHFFFAOYSA-N
MW166.31 g/mol
LogP1.82
Rot. Bonds4

About propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane

propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane (PubChem CID 57354437) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namepropan-2-yloxy-propyl-sulfanylidene-λ4-sulfane
PubChem CID57354437
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Namepropan-2-yloxy-propyl-sulfanylidene-λ4-sulfane
SMILESCCCS(=S)OC(C)C
InChIInChI=1S/C6H14OS2/c1-4-5-9(8)7-6(2)3/h6H,4-5H2,1-3H3
InChIKeyGQDITBXCUGYQAI-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl propane-1-sulfinate
CID 23271047
propan-2-yl propyl sulfite
CID 134895903
butyl(propan-2-yloxy)tin
CID 175243850
CID 91437014
CID 91437014
2-fluorosulfinyloxypropane
CID 23271043
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
[[[bis(sulfanylidene)-λ6-sulfanylidene]-sulfanylidene-λ6-sulfanylidene]-λ4-sulfanylidene]-propylborane
CID 89371159
3-propylsulfinylbutan-2-one
CID 64638271
2-propan-2-yloxyhex-2-ene
CID 123193761
CID 176657904
CID 176657904
1-(2,2-dimethoxyethylsulfinyl)propane
CID 66222196
O-propan-2-yl methanethioate
CID 10928526

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane?
The IUPAC name of propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane (CID 57354437) is propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane.
What is the SMILES notation for propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane?
The canonical SMILES for propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane is CCCS(=S)OC(C)C.
What is the InChIKey of propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane?
The InChIKey is GQDITBXCUGYQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c1-4-5-9(8)7-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane?
propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane has a molecular weight of 166.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxy-propyl-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 57354437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).