1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane

C8H17Cl2O3PS — CID 71380771

IUPAC1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane
SMILESCCSCCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H17Cl2O3PS/c1-2-15-8-7-14(11,12-5-3-9)13-6-4-10/h2-8H2,1H3
InChIKeyCEEDMHVPZBKKCV-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.44
Rot. Bonds10

About 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane

1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane (PubChem CID 71380771) has the molecular formula C8H17Cl2O3PS and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane
PubChem CID71380771
Molecular FormulaC8H17Cl2O3PS
Molecular Weight295.17 g/mol
Exact Mass294.00
IUPAC Name1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane
SMILESCCSCCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H17Cl2O3PS/c1-2-15-8-7-14(11,12-5-3-9)13-6-4-10/h2-8H2,1H3
InChIKeyCEEDMHVPZBKKCV-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane (CID 71380771) is 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane is CCSCCP(=O)(OCCCl)OCCCl.
What is the InChIKey of 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane?
The InChIKey is CEEDMHVPZBKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2O3PS/c1-2-15-8-7-14(11,12-5-3-9)13-6-4-10/h2-8H2,1H3.
What are the key properties of 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane?
1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane has a molecular weight of 295.17 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloroethoxy(2-ethylsulfanylethyl)phosphoryl]oxyethane is sourced from PubChem (CID 71380771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).