1-[chloro(ethylsulfanyl)phosphoryl]oxyethane

C4H10ClO2PS — CID 12549197

IUPAC1-[chloro(ethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)SCC
InChIInChI=1S/C4H10ClO2PS/c1-3-7-8(5,6)9-4-2/h3-4H2,1-2H3
InChIKeyRMQSINXLELHUAE-UHFFFAOYSA-N
MW188.62 g/mol
LogP3.12
Rot. Bonds4

About 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane

1-[chloro(ethylsulfanyl)phosphoryl]oxyethane (PubChem CID 12549197) has the molecular formula C4H10ClO2PS and a molecular weight of 188.62 g/mol. Its IUPAC name is 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloro(ethylsulfanyl)phosphoryl]oxyethane
PubChem CID12549197
Molecular FormulaC4H10ClO2PS
Molecular Weight188.62 g/mol
Exact Mass187.98
IUPAC Name1-[chloro(ethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)SCC
InChIInChI=1S/C4H10ClO2PS/c1-3-7-8(5,6)9-4-2/h3-4H2,1-2H3
InChIKeyRMQSINXLELHUAE-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane (CID 12549197) is 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane is CCOP(=O)(Cl)SCC.
What is the InChIKey of 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is RMQSINXLELHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2PS/c1-3-7-8(5,6)9-4-2/h3-4H2,1-2H3.
What are the key properties of 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane?
1-[chloro(ethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 188.62 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 12549197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).