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

C12H27OPS3 — CID 21217451

IUPACdodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCOP(=S)(S)S
InChIInChI=1S/C12H27OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h2-12H2,1H3,(H2,15,16,17)
InChIKeyYPYFHXMFDJWUDX-UHFFFAOYSA-N
MW314.52 g/mol
LogP6.01
Rot. Bonds12

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

dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 21217451) has the molecular formula C12H27OPS3 and a molecular weight of 314.52 g/mol. Its IUPAC name is dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID21217451
Molecular FormulaC12H27OPS3
Molecular Weight314.52 g/mol
Exact Mass314.10
IUPAC Namedodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCOP(=S)(S)S
InChIInChI=1S/C12H27OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h2-12H2,1H3,(H2,15,16,17)
InChIKeyYPYFHXMFDJWUDX-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 56.01
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

octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
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 dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane (CID 21217451) is dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCOP(=S)(S)S.
What is the InChIKey of dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is YPYFHXMFDJWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OPS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h2-12H2,1H3,(H2,15,16,17).
What are the key properties of dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane?
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 314.52 g/mol, XLogP of 6.01, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21217451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).