dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

C9H21O2PS2 — CID 12598532

IUPACdipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCOP(=S)(OCCC)SCCC
InChIInChI=1S/C9H21O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-9H2,1-3H3
InChIKeyRYKBVKHMDTYYNX-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.21
Rot. Bonds9

About dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 12598532) has the molecular formula C9H21O2PS2 and a molecular weight of 256.37 g/mol. Its IUPAC name is dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID12598532
Molecular FormulaC9H21O2PS2
Molecular Weight256.37 g/mol
Exact Mass256.07
IUPAC Namedipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCOP(=S)(OCCC)SCCC
InChIInChI=1S/C9H21O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-9H2,1-3H3
InChIKeyRYKBVKHMDTYYNX-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane (CID 12598532) is dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane is CCCOP(=S)(OCCC)SCCC.
What is the InChIKey of dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is RYKBVKHMDTYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2PS2/c1-4-7-10-12(13,11-8-5-2)14-9-6-3/h4-9H2,1-3H3.
What are the key properties of dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 256.37 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12598532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).