1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane

C7H17O4PS2 — CID 17426

IUPAC1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCS(=O)CC
InChIInChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
InChIKeyRCRHKXGEYNVPDK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.63
Rot. Bonds8

About 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane

1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane (PubChem CID 17426) has the molecular formula C7H17O4PS2 and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane
PubChem CID17426
Molecular FormulaC7H17O4PS2
Molecular Weight260.32 g/mol
Exact Mass260.03
IUPAC Name1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCS(=O)CC
InChIInChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
InChIKeyRCRHKXGEYNVPDK-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oxydemeton-methyl
CID 4618
Phorate sulfone
CID 17425
Phorate oxon
CID 75780
Phorate sulfoxide
CID 17424
Demeton-S sulfone
CID 17239
1-Diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
CID 17240
Phoratoxon sulfone
CID 17427
O,O-Diethyl O-2-ethylsulfinylethyl phosphorothioate
CID 21358
Demeton-O-methyl sulfoxide
CID 117523
Terbufoxon sulfoxide
CID 92037
Phosphoric acid, diethyl 2-(ethylsulfinyl)ethyl ester
CID 89981
Bis[2-(methylsulphonyl)-ethyl]phosphorochloridate
CID 13169990

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane (CID 17426) is 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane is CCOP(=O)(OCC)SCS(=O)CC.
What is the InChIKey of 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is RCRHKXGEYNVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3.
What are the key properties of 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane?
1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 260.32 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 17426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).