dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene

C8H11O3PS — CID 88776379

IUPACdihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
SMILESC=C.OP(O)(=S)Oc1ccccc1
InChIInChI=1S/C6H7O3PS.C2H4/c7-10(8,11)9-6-4-2-1-3-5-6;1-2/h1-5H,(H2,7,8,11);1-2H2
InChIKeyUHQINZLKSRLIEP-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.08
Rot. Bonds2

About dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene

dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene (PubChem CID 88776379) has the molecular formula C8H11O3PS and a molecular weight of 218.21 g/mol. Its IUPAC name is dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene.

Molecular Properties

Compound Namedihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
PubChem CID88776379
Molecular FormulaC8H11O3PS
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Namedihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
SMILESC=C.OP(O)(=S)Oc1ccccc1
InChIInChI=1S/C6H7O3PS.C2H4/c7-10(8,11)9-6-4-2-1-3-5-6;1-2/h1-5H,(H2,7,8,11);1-2H2
InChIKeyUHQINZLKSRLIEP-UHFFFAOYSA-N
XLogP2.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-[hydroxy(phenoxy)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 87475598
dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 141165628
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
hydroxy-imino-diphenoxy-λ5-phosphane
CID 57044355
diphenoxy-sulfanylidene-sulfido-λ5-phosphane
CID 3553797
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;(4-nitrophenyl)-phenylmethanone
CID 174857907
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
N,N'-bis(diphenoxyphosphinothioyl)ethanedithioamide
CID 141224594

Frequently Asked Questions

What is the IUPAC name of dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene?
The IUPAC name of dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene (CID 88776379) is dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene.
What is the SMILES notation for dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene?
The canonical SMILES for dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene is C=C.OP(O)(=S)Oc1ccccc1.
What is the InChIKey of dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene?
The InChIKey is UHQINZLKSRLIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3PS.C2H4/c7-10(8,11)9-6-4-2-1-3-5-6;1-2/h1-5H,(H2,7,8,11);1-2H2.
What are the key properties of dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene?
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene has a molecular weight of 218.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene is sourced from PubChem (CID 88776379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).