diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane

C13H21O3PS2 — CID 171980085

IUPACdiethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOC(SP(=S)(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H21O3PS2/c1-4-14-13(12-10-8-7-9-11-12)19-17(18,15-5-2)16-6-3/h7-11,13H,4-6H2,1-3H3
InChIKeyYTEKERLPLLQPAF-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.75
Rot. Bonds9

About diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane

diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 171980085) has the molecular formula C13H21O3PS2 and a molecular weight of 320.42 g/mol. Its IUPAC name is diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID171980085
Molecular FormulaC13H21O3PS2
Molecular Weight320.42 g/mol
Exact Mass320.07
IUPAC Namediethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOC(SP(=S)(OCC)OCC)c1ccccc1
InChIInChI=1S/C13H21O3PS2/c1-4-14-13(12-10-8-7-9-11-12)19-17(18,15-5-2)16-6-3/h7-11,13H,4-6H2,1-3H3
InChIKeyYTEKERLPLLQPAF-UHFFFAOYSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-diethoxyphosphinothioylsulfanyl-2-phenylacetonitrile
CID 21118678
ethyl 2-diethoxyphosphinothioylsulfanyl-2-phenylacetate
CID 3732682
diethoxy-(1-phenylethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21489055
2-diethoxyphosphinothioylsulfanyl-1-phenylpropan-1-one
CID 14740095
diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane
CID 12663682
2-diethoxyphosphinothioylsulfanyl-1-phenylhexan-1-one
CID 134978369
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193
ethyl 2-bis(methylperoxy)phosphinothioylsulfanyl-2-phenylacetate
CID 114986791
CID 21119616
CID 21119616
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium
CID 87407327

Frequently Asked Questions

What is the IUPAC name of diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane (CID 171980085) is diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane is CCOC(SP(=S)(OCC)OCC)c1ccccc1.
What is the InChIKey of diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is YTEKERLPLLQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3PS2/c1-4-14-13(12-10-8-7-9-11-12)19-17(18,15-5-2)16-6-3/h7-11,13H,4-6H2,1-3H3.
What are the key properties of diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane?
diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 320.42 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[ethoxy(phenyl)methyl]sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 171980085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).