butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane

C10H14ClOPS — CID 23412949

IUPACbutoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(Cl)c1ccccc1
InChIInChI=1S/C10H14ClOPS/c1-2-3-9-12-13(11,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLCXUTASROWABGL-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.68
Rot. Bonds5

About butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane

butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 23412949) has the molecular formula C10H14ClOPS and a molecular weight of 248.72 g/mol. Its IUPAC name is butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
PubChem CID23412949
Molecular FormulaC10H14ClOPS
Molecular Weight248.72 g/mol
Exact Mass248.02
IUPAC Namebutoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(Cl)c1ccccc1
InChIInChI=1S/C10H14ClOPS/c1-2-3-9-12-13(11,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLCXUTASROWABGL-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935640
benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane
CID 71388341
(4-nitrophenoxy)-octoxy-phenyl-sulfanylidene-λ5-phosphane
CID 71409695
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944
benzyl(trimethyl)azanium;dibutyl phosphate
CID 23216360
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
CID 66796976
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232

Frequently Asked Questions

What is the IUPAC name of butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane (CID 23412949) is butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane is CCCCOP(=S)(Cl)c1ccccc1.
What is the InChIKey of butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is LCXUTASROWABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClOPS/c1-2-3-9-12-13(11,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane?
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 248.72 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23412949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).