S-ethyl ethanethioate;rutherfordium

C4H7ORfS- — CID 59985058

IUPACS-ethyl ethanethioate;rutherfordium
SMILES[CH2-]CSC(C)=O.[Rf]
InChIInChI=1S/C4H7OS.Rf/c1-3-6-4(2)5;/h1,3H2,2H3;/q-1;
InChIKeyVXFWFIMDMVNNAD-UHFFFAOYSA-N
MW370.17 g/mol
LogP1.10
Rot. Bonds1

About S-ethyl ethanethioate;rutherfordium

S-ethyl ethanethioate;rutherfordium (PubChem CID 59985058) has the molecular formula C4H7ORfS- and a molecular weight of 370.17 g/mol. Its IUPAC name is S-ethyl ethanethioate;rutherfordium.

Molecular Properties

Compound NameS-ethyl ethanethioate;rutherfordium
PubChem CID59985058
Molecular FormulaC4H7ORfS-
Molecular Weight370.17 g/mol
Exact Mass370.14
IUPAC NameS-ethyl ethanethioate;rutherfordium
SMILES[CH2-]CSC(C)=O.[Rf]
InChIInChI=1S/C4H7OS.Rf/c1-3-6-4(2)5;/h1,3H2,2H3;/q-1;
InChIKeyVXFWFIMDMVNNAD-UHFFFAOYSA-N
XLogP1.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-ethyl ethanethioate;rutherfordium?
The IUPAC name of S-ethyl ethanethioate;rutherfordium (CID 59985058) is S-ethyl ethanethioate;rutherfordium.
What is the SMILES notation for S-ethyl ethanethioate;rutherfordium?
The canonical SMILES for S-ethyl ethanethioate;rutherfordium is [CH2-]CSC(C)=O.[Rf].
What is the InChIKey of S-ethyl ethanethioate;rutherfordium?
The InChIKey is VXFWFIMDMVNNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OS.Rf/c1-3-6-4(2)5;/h1,3H2,2H3;/q-1;.
What are the key properties of S-ethyl ethanethioate;rutherfordium?
S-ethyl ethanethioate;rutherfordium has a molecular weight of 370.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl ethanethioate;rutherfordium is sourced from PubChem (CID 59985058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).