azane;tripentoxy(sulfanylidene)-λ5-phosphane

C15H36NO3PS — CID 88758051

IUPACazane;tripentoxy(sulfanylidene)-λ5-phosphane
SMILESCCCCCOP(=S)(OCCCCC)OCCCCC.N
InChIInChI=1S/C15H33O3PS.H3N/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-15H2,1-3H3;1H3
InChIKeyRPFWJFUMDKACDX-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.99
Rot. Bonds15

About azane;tripentoxy(sulfanylidene)-λ5-phosphane

azane;tripentoxy(sulfanylidene)-λ5-phosphane (PubChem CID 88758051) has the molecular formula C15H36NO3PS and a molecular weight of 341.50 g/mol. Its IUPAC name is azane;tripentoxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Nameazane;tripentoxy(sulfanylidene)-λ5-phosphane
PubChem CID88758051
Molecular FormulaC15H36NO3PS
Molecular Weight341.50 g/mol
Exact Mass341.22
IUPAC Nameazane;tripentoxy(sulfanylidene)-λ5-phosphane
SMILESCCCCCOP(=S)(OCCCCC)OCCCCC.N
InChIInChI=1S/C15H33O3PS.H3N/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-15H2,1-3H3;1H3
InChIKeyRPFWJFUMDKACDX-UHFFFAOYSA-N
XLogP5.99
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-pentoxy-sulfanylidene-λ5-phosphane
CID 54147848
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
CID 158562006
CID 158562006
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206

Frequently Asked Questions

What is the IUPAC name of azane;tripentoxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of azane;tripentoxy(sulfanylidene)-λ5-phosphane (CID 88758051) is azane;tripentoxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for azane;tripentoxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for azane;tripentoxy(sulfanylidene)-λ5-phosphane is CCCCCOP(=S)(OCCCCC)OCCCCC.N.
What is the InChIKey of azane;tripentoxy(sulfanylidene)-λ5-phosphane?
The InChIKey is RPFWJFUMDKACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O3PS.H3N/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-15H2,1-3H3;1H3.
What are the key properties of azane;tripentoxy(sulfanylidene)-λ5-phosphane?
azane;tripentoxy(sulfanylidene)-λ5-phosphane has a molecular weight of 341.50 g/mol, XLogP of 5.99, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tripentoxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 88758051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).