hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc

C10H23O2PS2Zn — CID 87073414

IUPAChydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCOP(O)(=S)SCCCCC.[Zn]
InChIInChI=1S/C10H23O2PS2.Zn/c1-3-5-7-9-12-13(11,14)15-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,14);
InChIKeySANCWJPBTOBRQF-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.33
Rot. Bonds10

About hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc

hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 87073414) has the molecular formula C10H23O2PS2Zn and a molecular weight of 335.79 g/mol. Its IUPAC name is hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namehydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID87073414
Molecular FormulaC10H23O2PS2Zn
Molecular Weight335.79 g/mol
Exact Mass334.02
IUPAC Namehydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCOP(O)(=S)SCCCCC.[Zn]
InChIInChI=1S/C10H23O2PS2.Zn/c1-3-5-7-9-12-13(11,14)15-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,14);
InChIKeySANCWJPBTOBRQF-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
CID 141192629
CID 141192629
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866

Frequently Asked Questions

What is the IUPAC name of hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 87073414) is hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc is CCCCCOP(O)(=S)SCCCCC.[Zn].
What is the InChIKey of hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is SANCWJPBTOBRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2PS2.Zn/c1-3-5-7-9-12-13(11,14)15-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,14);.
What are the key properties of hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 335.79 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 87073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).