bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane

C9H17O2PS2 — CID 101005346

IUPACbis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OCC=C)SCCC
InChIInChI=1S/C9H17O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyXEICSTUWBJYISW-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.76
Rot. Bonds9

About bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane

bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 101005346) has the molecular formula C9H17O2PS2 and a molecular weight of 252.34 g/mol. Its IUPAC name is bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID101005346
Molecular FormulaC9H17O2PS2
Molecular Weight252.34 g/mol
Exact Mass252.04
IUPAC Namebis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OCC=C)SCCC
InChIInChI=1S/C9H17O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyXEICSTUWBJYISW-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
CID 22497472
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212
methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
CID 15367276
CID 141192629
CID 141192629
3-dibutoxyphosphinothioylsulfanylpropanoic acid
CID 12736290
1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
CID 57288582

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 101005346) is bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane is C=CCOP(=S)(OCC=C)SCCC.
What is the InChIKey of bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is XEICSTUWBJYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane?
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 252.34 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101005346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).