bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane

C12H27O2PS2 — CID 57053106

IUPACbis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)COP(=S)(S)OCC(CC)CC
InChIInChI=1S/C12H27O2PS2/c1-5-11(6-2)9-13-15(16,17)14-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyJFRJKMGCDUQNHQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.05
Rot. Bonds10

About bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane

bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 57053106) has the molecular formula C12H27O2PS2 and a molecular weight of 298.45 g/mol. Its IUPAC name is bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID57053106
Molecular FormulaC12H27O2PS2
Molecular Weight298.45 g/mol
Exact Mass298.12
IUPAC Namebis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)COP(=S)(S)OCC(CC)CC
InChIInChI=1S/C12H27O2PS2/c1-5-11(6-2)9-13-15(16,17)14-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyJFRJKMGCDUQNHQ-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 54607094
CID 54607094
bis(2,4-dimethylhexoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 56996091
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
CID 156593652
CID 156593652
bis(2-methylheptoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22164564
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173290359
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 57053106) is bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane is CCC(CC)COP(=S)(S)OCC(CC)CC.
What is the InChIKey of bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is JFRJKMGCDUQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2PS2/c1-5-11(6-2)9-13-15(16,17)14-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 298.45 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylbutoxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57053106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).