zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane

C4H9O2PS2Zn — CID 88795040

IUPACzinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCC(C)OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C4H11O2PS2.Zn/c1-3-4(2)6-7(5,8)9;/h4H,3H2,1-2H3,(H2,5,8,9);/q;+2/p-2
InChIKeyOXRPKXGVHAYGQK-UHFFFAOYSA-L
MW249.61 g/mol
LogP0.93
Rot. Bonds3

About zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane

zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 88795040) has the molecular formula C4H9O2PS2Zn and a molecular weight of 249.61 g/mol. Its IUPAC name is zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namezinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
PubChem CID88795040
Molecular FormulaC4H9O2PS2Zn
Molecular Weight249.61 g/mol
Exact Mass247.91
IUPAC Namezinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCC(C)OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C4H11O2PS2.Zn/c1-3-4(2)6-7(5,8)9;/h4H,3H2,1-2H3,(H2,5,8,9);/q;+2/p-2
InChIKeyOXRPKXGVHAYGQK-UHFFFAOYSA-L
XLogP0.93
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.61
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

trisodium;butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane;di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 160846660
antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 21199895
dipotassium;butan-2-yl phosphate
CID 21353345
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
zinc 10-methylundecan-5-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 87748091
tributan-2-yl phosphate
CID 11482502
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
CID 91437014
CID 91437014
butan-2-yl dipropan-2-yl phosphate
CID 71379379
disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 172832566

Frequently Asked Questions

What is the IUPAC name of zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane (CID 88795040) is zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane is CCC(C)OP([O-])(=S)[S-].[Zn+2].
What is the InChIKey of zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is OXRPKXGVHAYGQK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O2PS2.Zn/c1-3-4(2)6-7(5,8)9;/h4H,3H2,1-2H3,(H2,5,8,9);/q;+2/p-2.
What are the key properties of zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 249.61 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 88795040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).