di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane

C18H39O2PS2 — CID 3816158

IUPACdi(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCOP(=S)(S)OCCCCCCCCC
InChIInChI=1S/C18H39O2PS2/c1-3-5-7-9-11-13-15-17-19-21(22,23)20-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,22,23)
InChIKeyXFAYHOVTJNPDJW-UHFFFAOYSA-N
MW382.62 g/mol
LogP7.68
Rot. Bonds18

About di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane

di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 3816158) has the molecular formula C18H39O2PS2 and a molecular weight of 382.62 g/mol. Its IUPAC name is di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedi(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID3816158
Molecular FormulaC18H39O2PS2
Molecular Weight382.62 g/mol
Exact Mass382.21
IUPAC Namedi(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCOP(=S)(S)OCCCCCCCCC
InChIInChI=1S/C18H39O2PS2/c1-3-5-7-9-11-13-15-17-19-21(22,23)20-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,22,23)
InChIKeyXFAYHOVTJNPDJW-UHFFFAOYSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 158562006
CID 158562006
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 174457539

Frequently Asked Questions

What is the IUPAC name of di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 3816158) is di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane is CCCCCCCCCOP(=S)(S)OCCCCCCCCC.
What is the InChIKey of di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is XFAYHOVTJNPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O2PS2/c1-3-5-7-9-11-13-15-17-19-21(22,23)20-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,22,23).
What are the key properties of di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 382.62 g/mol, XLogP of 7.68, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3816158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).