dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane

C14H31O2PS2 — CID 21217456

IUPACdihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCSP(O)(O)=S
InChIInChI=1S/C14H31O2PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(15,16)18/h2-14H2,1H3,(H2,15,16,18)
InChIKeyLXRYAYMEFFPTHL-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.63
Rot. Bonds14

About dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane

dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane (PubChem CID 21217456) has the molecular formula C14H31O2PS2 and a molecular weight of 326.51 g/mol. Its IUPAC name is dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
PubChem CID21217456
Molecular FormulaC14H31O2PS2
Molecular Weight326.51 g/mol
Exact Mass326.15
IUPAC Namedihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCSP(O)(O)=S
InChIInChI=1S/C14H31O2PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(15,16)18/h2-14H2,1H3,(H2,15,16,18)
InChIKeyLXRYAYMEFFPTHL-UHFFFAOYSA-N
XLogP5.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.63
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'}

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Related Compounds

hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
decylsulfanylphosphonic acid
CID 21217457
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
hydroxy-octadec-9-enylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 57232077
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
dihydroxy-octylsulfanyl-sulfanylidene-λ5-phosphane;2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
CID 87604085

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane (CID 21217456) is dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane is CCCCCCCCCCCCCCSP(O)(O)=S.
What is the InChIKey of dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane?
The InChIKey is LXRYAYMEFFPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O2PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(15,16)18/h2-14H2,1H3,(H2,15,16,18).
What are the key properties of dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane?
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane has a molecular weight of 326.51 g/mol, XLogP of 5.63, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane is sourced from PubChem (CID 21217456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).