diethylphosphoryl thiohypochlorite

C4H10ClOPS — CID 172690326

IUPACdiethylphosphoryl thiohypochlorite
SMILESCCP(=O)(CC)SCl
InChIInChI=1S/C4H10ClOPS/c1-3-7(6,4-2)8-5/h3-4H2,1-2H3
InChIKeyBOYVEZJDIJJWNZ-UHFFFAOYSA-N
MW172.62 g/mol
LogP3.19
Rot. Bonds3

About diethylphosphoryl thiohypochlorite

diethylphosphoryl thiohypochlorite (PubChem CID 172690326) has the molecular formula C4H10ClOPS and a molecular weight of 172.62 g/mol. Its IUPAC name is diethylphosphoryl thiohypochlorite.

Molecular Properties

Compound Namediethylphosphoryl thiohypochlorite
PubChem CID172690326
Molecular FormulaC4H10ClOPS
Molecular Weight172.62 g/mol
Exact Mass171.99
IUPAC Namediethylphosphoryl thiohypochlorite
SMILESCCP(=O)(CC)SCl
InChIInChI=1S/C4H10ClOPS/c1-3-7(6,4-2)8-5/h3-4H2,1-2H3
InChIKeyBOYVEZJDIJJWNZ-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diethylphosphorylsulfanyloxyethyl(trimethyl)azanium
CID 175432865
2-diethylphosphorylsulfanylethyl(trimethyl)azanium
CID 172774852
chlorosulfanyl(ethoxy)phosphinic acid
CID 174460184
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
[chlorooxy(ethyl)phosphoryl] hypochlorite
CID 139922572
2-[chloro(ethyl)phosphoryl]sulfanylpropane
CID 88693178
diethylphosphinic acid
CID 123698390
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
diethylphosphinate
CID 159335352
ethylphosphonic acid;zirconium
CID 161117919
ethylphosphonic acid;phosphoric acid
CID 87124135
1,2-bis(diethylphosphoryl)ethane
CID 22892167

Frequently Asked Questions

What is the IUPAC name of diethylphosphoryl thiohypochlorite?
The IUPAC name of diethylphosphoryl thiohypochlorite (CID 172690326) is diethylphosphoryl thiohypochlorite.
What is the SMILES notation for diethylphosphoryl thiohypochlorite?
The canonical SMILES for diethylphosphoryl thiohypochlorite is CCP(=O)(CC)SCl.
What is the InChIKey of diethylphosphoryl thiohypochlorite?
The InChIKey is BOYVEZJDIJJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClOPS/c1-3-7(6,4-2)8-5/h3-4H2,1-2H3.
What are the key properties of diethylphosphoryl thiohypochlorite?
diethylphosphoryl thiohypochlorite has a molecular weight of 172.62 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphoryl thiohypochlorite is sourced from PubChem (CID 172690326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).