3-chloro-4-(2-ethoxyethyl)thiolane

C8H15ClOS — CID 83190406

IUPAC3-chloro-4-(2-ethoxyethyl)thiolane
SMILESCCOCCC1CSCC1Cl
InChIInChI=1S/C8H15ClOS/c1-2-10-4-3-7-5-11-6-8(7)9/h7-8H,2-6H2,1H3
InChIKeyOSBJDIYHLLFCJZ-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.38
Rot. Bonds4

About 3-chloro-4-(2-ethoxyethyl)thiolane

3-chloro-4-(2-ethoxyethyl)thiolane (PubChem CID 83190406) has the molecular formula C8H15ClOS and a molecular weight of 194.73 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyethyl)thiolane.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyethyl)thiolane
PubChem CID83190406
Molecular FormulaC8H15ClOS
Molecular Weight194.73 g/mol
Exact Mass194.05
IUPAC Name3-chloro-4-(2-ethoxyethyl)thiolane
SMILESCCOCCC1CSCC1Cl
InChIInChI=1S/C8H15ClOS/c1-2-10-4-3-7-5-11-6-8(7)9/h7-8H,2-6H2,1H3
InChIKeyOSBJDIYHLLFCJZ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyethyl)thiolane?
The IUPAC name of 3-chloro-4-(2-ethoxyethyl)thiolane (CID 83190406) is 3-chloro-4-(2-ethoxyethyl)thiolane.
What is the SMILES notation for 3-chloro-4-(2-ethoxyethyl)thiolane?
The canonical SMILES for 3-chloro-4-(2-ethoxyethyl)thiolane is CCOCCC1CSCC1Cl.
What is the InChIKey of 3-chloro-4-(2-ethoxyethyl)thiolane?
The InChIKey is OSBJDIYHLLFCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClOS/c1-2-10-4-3-7-5-11-6-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 3-chloro-4-(2-ethoxyethyl)thiolane?
3-chloro-4-(2-ethoxyethyl)thiolane has a molecular weight of 194.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyethyl)thiolane is sourced from PubChem (CID 83190406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).