hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane

C7H9O4PS — CID 174646420

IUPAChydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCc1ccc(OP(O)(=S)OO)cc1
InChIInChI=1S/C7H9O4PS/c1-6-2-4-7(5-3-6)10-12(9,13)11-8/h2-5,8H,1H3,(H,9,13)
InChIKeyBOGITEYDBMEMDZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds3

About hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane

hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 174646420) has the molecular formula C7H9O4PS and a molecular weight of 220.19 g/mol. Its IUPAC name is hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID174646420
Molecular FormulaC7H9O4PS
Molecular Weight220.19 g/mol
Exact Mass220.00
IUPAC Namehydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCc1ccc(OP(O)(=S)OO)cc1
InChIInChI=1S/C7H9O4PS/c1-6-2-4-7(5-3-6)10-12(9,13)11-8/h2-5,8H,1H3,(H,9,13)
InChIKeyBOGITEYDBMEMDZ-UHFFFAOYSA-N
XLogP2.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

zinc bis(bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 18762380
hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 174823623
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
bis(4-methylphenoxy)phosphinothioylsulfanylthallium
CID 609596
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980274
neodymium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980278
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332

Frequently Asked Questions

What is the IUPAC name of hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (CID 174646420) is hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is Cc1ccc(OP(O)(=S)OO)cc1.
What is the InChIKey of hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is BOGITEYDBMEMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O4PS/c1-6-2-4-7(5-3-6)10-12(9,13)11-8/h2-5,8H,1H3,(H,9,13).
What are the key properties of hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 220.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).