hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc

C12H15O2PS2Zn — CID 88814487

IUPAChydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESC=CCSP(O)(=S)Oc1ccccc1CC=C.[Zn]
InChIInChI=1S/C12H15O2PS2.Zn/c1-3-7-11-8-5-6-9-12(11)14-15(13,16)17-10-4-2;/h3-6,8-9H,1-2,7,10H2,(H,13,16);
InChIKeyJYIOXKVRVVXSBA-UHFFFAOYSA-N
MW351.75 g/mol
LogP3.93
Rot. Bonds7

About hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc

hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 88814487) has the molecular formula C12H15O2PS2Zn and a molecular weight of 351.75 g/mol. Its IUPAC name is hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namehydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID88814487
Molecular FormulaC12H15O2PS2Zn
Molecular Weight351.75 g/mol
Exact Mass349.95
IUPAC Namehydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESC=CCSP(O)(=S)Oc1ccccc1CC=C.[Zn]
InChIInChI=1S/C12H15O2PS2.Zn/c1-3-7-11-8-5-6-9-12(11)14-15(13,16)17-10-4-2;/h3-6,8-9H,1-2,7,10H2,(H,13,16);
InChIKeyJYIOXKVRVVXSBA-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
CID 70271994
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
CID 15477926
CID 15477926
CID 13455471
CID 13455471
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
CID 66971419
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 88814487) is hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc is C=CCSP(O)(=S)Oc1ccccc1CC=C.[Zn].
What is the InChIKey of hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is JYIOXKVRVVXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2PS2.Zn/c1-3-7-11-8-5-6-9-12(11)14-15(13,16)17-10-4-2;/h3-6,8-9H,1-2,7,10H2,(H,13,16);.
What are the key properties of hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 351.75 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 88814487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).