chlorosulfanium;ethyl acetate

C4H10ClO2S+ — CID 22238075

IUPACchlorosulfanium;ethyl acetate
SMILESCCOC(C)=O.[SH2+]Cl
InChIInChI=1S/C4H8O2.ClHS/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H/p+1
InChIKeyWIVQWLGGDPQTQE-UHFFFAOYSA-O
MW157.64 g/mol
LogP0.72
Rot. Bonds1

About chlorosulfanium;ethyl acetate

chlorosulfanium;ethyl acetate (PubChem CID 22238075) has the molecular formula C4H10ClO2S+ and a molecular weight of 157.64 g/mol. Its IUPAC name is chlorosulfanium;ethyl acetate.

Molecular Properties

Compound Namechlorosulfanium;ethyl acetate
PubChem CID22238075
Molecular FormulaC4H10ClO2S+
Molecular Weight157.64 g/mol
Exact Mass157.01
IUPAC Namechlorosulfanium;ethyl acetate
SMILESCCOC(C)=O.[SH2+]Cl
InChIInChI=1S/C4H8O2.ClHS/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H/p+1
InChIKeyWIVQWLGGDPQTQE-UHFFFAOYSA-O
XLogP0.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(dichloromethane);ethyl acetate
CID 173005314
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of chlorosulfanium;ethyl acetate?
The IUPAC name of chlorosulfanium;ethyl acetate (CID 22238075) is chlorosulfanium;ethyl acetate.
What is the SMILES notation for chlorosulfanium;ethyl acetate?
The canonical SMILES for chlorosulfanium;ethyl acetate is CCOC(C)=O.[SH2+]Cl.
What is the InChIKey of chlorosulfanium;ethyl acetate?
The InChIKey is WIVQWLGGDPQTQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8O2.ClHS/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H/p+1.
What are the key properties of chlorosulfanium;ethyl acetate?
chlorosulfanium;ethyl acetate has a molecular weight of 157.64 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfanium;ethyl acetate is sourced from PubChem (CID 22238075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).