2-ethenylsulfanylethyl acetate

C6H10O2S — CID 18985244

IUPAC2-ethenylsulfanylethyl acetate
SMILESC=CSCCOC(C)=O
InChIInChI=1S/C6H10O2S/c1-3-9-5-4-8-6(2)7/h3H,1,4-5H2,2H3
InChIKeyVZAKWVOJSUSEBI-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.43
Rot. Bonds4

About 2-ethenylsulfanylethyl acetate

2-ethenylsulfanylethyl acetate (PubChem CID 18985244) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-ethenylsulfanylethyl acetate.

Molecular Properties

Compound Name2-ethenylsulfanylethyl acetate
PubChem CID18985244
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-ethenylsulfanylethyl acetate
SMILESC=CSCCOC(C)=O
InChIInChI=1S/C6H10O2S/c1-3-9-5-4-8-6(2)7/h3H,1,4-5H2,2H3
InChIKeyVZAKWVOJSUSEBI-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethyl acetate?
The IUPAC name of 2-ethenylsulfanylethyl acetate (CID 18985244) is 2-ethenylsulfanylethyl acetate.
What is the SMILES notation for 2-ethenylsulfanylethyl acetate?
The canonical SMILES for 2-ethenylsulfanylethyl acetate is C=CSCCOC(C)=O.
What is the InChIKey of 2-ethenylsulfanylethyl acetate?
The InChIKey is VZAKWVOJSUSEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-9-5-4-8-6(2)7/h3H,1,4-5H2,2H3.
What are the key properties of 2-ethenylsulfanylethyl acetate?
2-ethenylsulfanylethyl acetate has a molecular weight of 146.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethyl acetate is sourced from PubChem (CID 18985244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).