zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane

C14H21O2PS2Zn — CID 70606516

IUPACzinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCc1ccccc1OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C14H23O2PS2.Zn/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)16-17(15,18)19;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,18,19);/q;+2/p-2
InChIKeyKYYHVSDNFWKQTB-UHFFFAOYSA-L
MW381.82 g/mol
LogP4.10
Rot. Bonds9

About zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane

zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 70606516) has the molecular formula C14H21O2PS2Zn and a molecular weight of 381.82 g/mol. Its IUPAC name is zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namezinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
PubChem CID70606516
Molecular FormulaC14H21O2PS2Zn
Molecular Weight381.82 g/mol
Exact Mass380.00
IUPAC Namezinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCc1ccccc1OP([O-])(=S)[S-].[Zn+2]
InChIInChI=1S/C14H23O2PS2.Zn/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)16-17(15,18)19;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,18,19);/q;+2/p-2
InChIKeyKYYHVSDNFWKQTB-UHFFFAOYSA-L
XLogP4.10
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.10
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

zinc (2,3-diheptylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 68945518
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486
(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride
CID 173428384
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
1-methoxy-2-tetradecylbenzene
CID 69169530
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321

Frequently Asked Questions

What is the IUPAC name of zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane (CID 70606516) is zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane is CCCCCCCCc1ccccc1OP([O-])(=S)[S-].[Zn+2].
What is the InChIKey of zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is KYYHVSDNFWKQTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H23O2PS2.Zn/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)16-17(15,18)19;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,18,19);/q;+2/p-2.
What are the key properties of zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane?
zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 381.82 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 70606516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).