diethoxy-methanidyl-sulfanylidene-λ5-phosphane

C5H12O2PS- — CID 23416615

IUPACdiethoxy-methanidyl-sulfanylidene-λ5-phosphane
SMILES[CH2-]P(=S)(OCC)OCC
InChIInChI=1S/C5H12O2PS/c1-4-6-8(3,9)7-5-2/h3-5H2,1-2H3/q-1
InChIKeyJYUBWGHPOXCTFM-UHFFFAOYSA-N
MW167.19 g/mol
LogP2.16
Rot. Bonds4

About diethoxy-methanidyl-sulfanylidene-λ5-phosphane

diethoxy-methanidyl-sulfanylidene-λ5-phosphane (PubChem CID 23416615) has the molecular formula C5H12O2PS- and a molecular weight of 167.19 g/mol. Its IUPAC name is diethoxy-methanidyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-methanidyl-sulfanylidene-λ5-phosphane
PubChem CID23416615
Molecular FormulaC5H12O2PS-
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namediethoxy-methanidyl-sulfanylidene-λ5-phosphane
SMILES[CH2-]P(=S)(OCC)OCC
InChIInChI=1S/C5H12O2PS/c1-4-6-8(3,9)7-5-2/h3-5H2,1-2H3/q-1
InChIKeyJYUBWGHPOXCTFM-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
CID 156593652
CID 156593652
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
potassium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18941
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
[amino(methoxy)phosphinothioyl]oxyethane
CID 14091505
N-diethoxyphosphinothioylmethanamine
CID 759370
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777

Frequently Asked Questions

What is the IUPAC name of diethoxy-methanidyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-methanidyl-sulfanylidene-λ5-phosphane (CID 23416615) is diethoxy-methanidyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-methanidyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-methanidyl-sulfanylidene-λ5-phosphane is [CH2-]P(=S)(OCC)OCC.
What is the InChIKey of diethoxy-methanidyl-sulfanylidene-λ5-phosphane?
The InChIKey is JYUBWGHPOXCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2PS/c1-4-6-8(3,9)7-5-2/h3-5H2,1-2H3/q-1.
What are the key properties of diethoxy-methanidyl-sulfanylidene-λ5-phosphane?
diethoxy-methanidyl-sulfanylidene-λ5-phosphane has a molecular weight of 167.19 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methanidyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23416615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).