[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate

C12H28O5P2S2 — CID 22497472

IUPAC[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=S)(OCCC)SCCC
InChIInChI=1S/C12H28O5P2S2/c1-5-9-14-18(13,15-10-6-2)17-19(20,16-11-7-3)21-12-8-4/h5-12H2,1-4H3
InChIKeyNRXQOUKXWZDIBK-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.76
Rot. Bonds14

About [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate

[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate (PubChem CID 22497472) has the molecular formula C12H28O5P2S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate.

Molecular Properties

Compound Name[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
PubChem CID22497472
Molecular FormulaC12H28O5P2S2
Molecular Weight378.43 g/mol
Exact Mass378.09
IUPAC Name[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=S)(OCCC)SCCC
InChIInChI=1S/C12H28O5P2S2/c1-5-9-14-18(13,15-10-6-2)17-19(20,16-11-7-3)21-12-8-4/h5-12H2,1-4H3
InChIKeyNRXQOUKXWZDIBK-UHFFFAOYSA-N
XLogP5.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate with MolForge

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

Launch Full Analysis

Related Compounds

[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005
3-dibutoxyphosphinothioylsulfanylpropanoic acid
CID 12736290
diiodo propyl phosphate
CID 175578929
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212
CID 141192629
CID 141192629
4-dibutoxyphosphinothioylsulfanylbutyl hydrogen sulfate
CID 15851141

Frequently Asked Questions

What is the IUPAC name of [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate?
The IUPAC name of [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate (CID 22497472) is [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate.
What is the SMILES notation for [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate?
The canonical SMILES for [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate is CCCOP(=O)(OCCC)OP(=S)(OCCC)SCCC.
What is the InChIKey of [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate?
The InChIKey is NRXQOUKXWZDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5P2S2/c1-5-9-14-18(13,15-10-6-2)17-19(20,16-11-7-3)21-12-8-4/h5-12H2,1-4H3.
What are the key properties of [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate?
[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate has a molecular weight of 378.43 g/mol, XLogP of 5.76, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate is sourced from PubChem (CID 22497472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).