bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc

C12H26O2PS2Zn- — CID 160768800

IUPACbis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc
SMILESCC(C)CCCOP(=S)([S-])OCCCC(C)C.[Zn]
InChIInChI=1S/C12H27O2PS2.Zn/c1-11(2)7-5-9-13-15(16,17)14-10-6-8-12(3)4;/h11-12H,5-10H2,1-4H3,(H,16,17);/p-1
InChIKeyPVYGQGZFIBTSAK-UHFFFAOYSA-M
MW362.84 g/mol
LogP4.66
Rot. Bonds10

About bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc

bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc (PubChem CID 160768800) has the molecular formula C12H26O2PS2Zn- and a molecular weight of 362.84 g/mol. Its IUPAC name is bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc.

Molecular Properties

Compound Namebis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc
PubChem CID160768800
Molecular FormulaC12H26O2PS2Zn-
Molecular Weight362.84 g/mol
Exact Mass361.04
IUPAC Namebis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc
SMILESCC(C)CCCOP(=S)([S-])OCCCC(C)C.[Zn]
InChIInChI=1S/C12H27O2PS2.Zn/c1-11(2)7-5-9-13-15(16,17)14-10-6-8-12(3)4;/h11-12H,5-10H2,1-4H3,(H,16,17);/p-1
InChIKeyPVYGQGZFIBTSAK-UHFFFAOYSA-M
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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_1', 'substructure': 'N/A'}

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Related Compounds

3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 86195651
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane
CID 170936670
hexakis(didecoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173026472
tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
CID 22360040
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
azane;bis(4-methylpentyl) octadecyl phosphate
CID 175249192
bis(4-methylpentyl) phosphate;chromium(3+);bis(diethyl phosphate)
CID 173454909

Frequently Asked Questions

What is the IUPAC name of bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc?
The IUPAC name of bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc (CID 160768800) is bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc.
What is the SMILES notation for bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc?
The canonical SMILES for bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc is CC(C)CCCOP(=S)([S-])OCCCC(C)C.[Zn].
What is the InChIKey of bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc?
The InChIKey is PVYGQGZFIBTSAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O2PS2.Zn/c1-11(2)7-5-9-13-15(16,17)14-10-6-8-12(3)4;/h11-12H,5-10H2,1-4H3,(H,16,17);/p-1.
What are the key properties of bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc?
bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc has a molecular weight of 362.84 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc is sourced from PubChem (CID 160768800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).