octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane

C18H39OPS3 — CID 21217594

IUPACoctadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCOP(=S)(S)S
InChIInChI=1S/C18H39OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,22)23/h2-18H2,1H3,(H2,21,22,23)
InChIKeyULDFLJROQSGWEK-UHFFFAOYSA-N
MW398.68 g/mol
LogP8.35
Rot. Bonds18

About octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane

octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 21217594) has the molecular formula C18H39OPS3 and a molecular weight of 398.68 g/mol. Its IUPAC name is octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameoctadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID21217594
Molecular FormulaC18H39OPS3
Molecular Weight398.68 g/mol
Exact Mass398.19
IUPAC Nameoctadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCOP(=S)(S)S
InChIInChI=1S/C18H39OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,22)23/h2-18H2,1H3,(H2,21,22,23)
InChIKeyULDFLJROQSGWEK-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758

Frequently Asked Questions

What is the IUPAC name of octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane (CID 21217594) is octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCCCCCCCOP(=S)(S)S.
What is the InChIKey of octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is ULDFLJROQSGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,22)23/h2-18H2,1H3,(H2,21,22,23).
What are the key properties of octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 398.68 g/mol, XLogP of 8.35, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21217594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).