butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane

C5H12O3PS- — CID 154398199

IUPACbutoxy-methoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCOP([O-])(=S)OC
InChIInChI=1S/C5H13O3PS/c1-3-4-5-8-9(6,10)7-2/h3-5H2,1-2H3,(H,6,10)/p-1
InChIKeyIGMVIWSNYSQRFR-UHFFFAOYSA-M
MW183.19 g/mol
LogP1.03
Rot. Bonds5

About butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane

butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 154398199) has the molecular formula C5H12O3PS- and a molecular weight of 183.19 g/mol. Its IUPAC name is butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-methoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID154398199
Molecular FormulaC5H12O3PS-
Molecular Weight183.19 g/mol
Exact Mass183.03
IUPAC Namebutoxy-methoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCOP([O-])(=S)OC
InChIInChI=1S/C5H13O3PS/c1-3-4-5-8-9(6,10)7-2/h3-5H2,1-2H3,(H,6,10)/p-1
InChIKeyIGMVIWSNYSQRFR-UHFFFAOYSA-M
XLogP1.03
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
dimethoxy-pentoxy-sulfanylidene-λ5-phosphane
CID 54147848
CID 156594251
CID 156594251
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane
CID 157333832
2-[hexadecoxy(oxido)phosphinothioyl]oxyethyl-trimethylazanium;methane
CID 160707293
magnesium dibutyl phosphate
CID 21400580
butyl phosphate;titanium(2+)
CID 141032733
heptyl methyl phosphate;1-methoxybutane
CID 160703471
heptyl methyl phosphate
CID 22497569
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944

Frequently Asked Questions

What is the IUPAC name of butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane (CID 154398199) is butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane is CCCCOP([O-])(=S)OC.
What is the InChIKey of butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is IGMVIWSNYSQRFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13O3PS/c1-3-4-5-8-9(6,10)7-2/h3-5H2,1-2H3,(H,6,10)/p-1.
What are the key properties of butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane?
butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 183.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 154398199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).