butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc

C12H27O2PS2Zn — CID 174854596

IUPACbutoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCOP(=S)(S)OCCCC.[Zn]
InChIInChI=1S/C12H27O2PS2.Zn/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2;/h3-12H2,1-2H3,(H,16,17);
InChIKeyNRLFOTKJOYGEJW-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.33
Rot. Bonds12

About butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc

butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 174854596) has the molecular formula C12H27O2PS2Zn and a molecular weight of 363.84 g/mol. Its IUPAC name is butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namebutoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID174854596
Molecular FormulaC12H27O2PS2Zn
Molecular Weight363.84 g/mol
Exact Mass362.05
IUPAC Namebutoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCOP(=S)(S)OCCCC.[Zn]
InChIInChI=1S/C12H27O2PS2.Zn/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2;/h3-12H2,1-2H3,(H,16,17);
InChIKeyNRLFOTKJOYGEJW-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.33
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280

Frequently Asked Questions

What is the IUPAC name of butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 174854596) is butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc is CCCCCCCCOP(=S)(S)OCCCC.[Zn].
What is the InChIKey of butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is NRLFOTKJOYGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2PS2.Zn/c1-3-5-7-8-9-10-12-14-15(16,17)13-11-6-4-2;/h3-12H2,1-2H3,(H,16,17);.
What are the key properties of butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc?
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 363.84 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 174854596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).