ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

C7H17O2PS2 — CID 23331140

IUPACethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCC(C)OP(=S)(S)OCC
InChIInChI=1S/C7H17O2PS2/c1-4-6-7(3)9-10(11,12)8-5-2/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYVPAKOBEUZJVPI-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.38
Rot. Bonds6

About ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 23331140) has the molecular formula C7H17O2PS2 and a molecular weight of 228.32 g/mol. Its IUPAC name is ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID23331140
Molecular FormulaC7H17O2PS2
Molecular Weight228.32 g/mol
Exact Mass228.04
IUPAC Nameethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCC(C)OP(=S)(S)OCC
InChIInChI=1S/C7H17O2PS2/c1-4-6-7(3)9-10(11,12)8-5-2/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYVPAKOBEUZJVPI-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.38
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

diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
CID 156593652
CID 156593652
chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane
CID 57021571
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;molybdenum;hydrate
CID 160731909
bis(2-methylheptoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22164564
methyl pentan-2-yl hydrogen phosphate
CID 138486874
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
2-[amino(propan-2-yloxy)phosphoryl]oxypentane
CID 174170604
tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132

Frequently Asked Questions

What is the IUPAC name of ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 23331140) is ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is CCCC(C)OP(=S)(S)OCC.
What is the InChIKey of ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is YVPAKOBEUZJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2PS2/c1-4-6-7(3)9-10(11,12)8-5-2/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 228.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23331140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).