S-ethyl 2-methoxyethanethioate

C5H10O2S — CID 15145870

IUPACS-ethyl 2-methoxyethanethioate
SMILESCCSC(=O)COC
InChIInChI=1S/C5H10O2S/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
InChIKeyCZWTYYVXBGARRG-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.91
Rot. Bonds3

About S-ethyl 2-methoxyethanethioate

S-ethyl 2-methoxyethanethioate (PubChem CID 15145870) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is S-ethyl 2-methoxyethanethioate.

Molecular Properties

Compound NameS-ethyl 2-methoxyethanethioate
PubChem CID15145870
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC NameS-ethyl 2-methoxyethanethioate
SMILESCCSC(=O)COC
InChIInChI=1S/C5H10O2S/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
InChIKeyCZWTYYVXBGARRG-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-ethyl 2-methoxyethanethioate?
The IUPAC name of S-ethyl 2-methoxyethanethioate (CID 15145870) is S-ethyl 2-methoxyethanethioate.
What is the SMILES notation for S-ethyl 2-methoxyethanethioate?
The canonical SMILES for S-ethyl 2-methoxyethanethioate is CCSC(=O)COC.
What is the InChIKey of S-ethyl 2-methoxyethanethioate?
The InChIKey is CZWTYYVXBGARRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3.
What are the key properties of S-ethyl 2-methoxyethanethioate?
S-ethyl 2-methoxyethanethioate has a molecular weight of 134.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl 2-methoxyethanethioate is sourced from PubChem (CID 15145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).