ethoxy-phenoxy-sulfanylidenephosphanium

C8H10O2PS+ — CID 154097778

IUPACethoxy-phenoxy-sulfanylidenephosphanium
SMILESCCO[P+](=S)Oc1ccccc1
InChIInChI=1S/C8H10O2PS/c1-2-9-11(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyVRZMGRKYNIMEEX-UHFFFAOYSA-N
MW201.21 g/mol
LogP2.88
Rot. Bonds4

About ethoxy-phenoxy-sulfanylidenephosphanium

ethoxy-phenoxy-sulfanylidenephosphanium (PubChem CID 154097778) has the molecular formula C8H10O2PS+ and a molecular weight of 201.21 g/mol. Its IUPAC name is ethoxy-phenoxy-sulfanylidenephosphanium.

Molecular Properties

Compound Nameethoxy-phenoxy-sulfanylidenephosphanium
PubChem CID154097778
Molecular FormulaC8H10O2PS+
Molecular Weight201.21 g/mol
Exact Mass201.01
IUPAC Nameethoxy-phenoxy-sulfanylidenephosphanium
SMILESCCO[P+](=S)Oc1ccccc1
InChIInChI=1S/C8H10O2PS/c1-2-9-11(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyVRZMGRKYNIMEEX-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
ethoxybenzene chloride
CID 21193593
propylperoxybenzene
CID 87444466
azane;phenylperoxybenzene
CID 174490395
sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium
CID 174295420
ethoxybenzene;molecular iodine
CID 67763605
potassium;hydride;phenylperoxybenzene
CID 174274599
oxo-phenoxy-undecoxyphosphanium
CID 67392956
ethane;phenoxybenzene;propane
CID 90923491
ethoxybenzene;ethoxyethane
CID 67764259
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
oxo-pentyl-phenoxyphosphanium
CID 67135329

Frequently Asked Questions

What is the IUPAC name of ethoxy-phenoxy-sulfanylidenephosphanium?
The IUPAC name of ethoxy-phenoxy-sulfanylidenephosphanium (CID 154097778) is ethoxy-phenoxy-sulfanylidenephosphanium.
What is the SMILES notation for ethoxy-phenoxy-sulfanylidenephosphanium?
The canonical SMILES for ethoxy-phenoxy-sulfanylidenephosphanium is CCO[P+](=S)Oc1ccccc1.
What is the InChIKey of ethoxy-phenoxy-sulfanylidenephosphanium?
The InChIKey is VRZMGRKYNIMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2PS/c1-2-9-11(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1.
What are the key properties of ethoxy-phenoxy-sulfanylidenephosphanium?
ethoxy-phenoxy-sulfanylidenephosphanium has a molecular weight of 201.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-phenoxy-sulfanylidenephosphanium is sourced from PubChem (CID 154097778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).