3-(2-butoxyethyl)-4-chlorothiolane

C10H19ClOS — CID 83190056

IUPAC3-(2-butoxyethyl)-4-chlorothiolane
SMILESCCCCOCCC1CSCC1Cl
InChIInChI=1S/C10H19ClOS/c1-2-3-5-12-6-4-9-7-13-8-10(9)11/h9-10H,2-8H2,1H3
InChIKeyDCOHIBRWETXCLP-UHFFFAOYSA-N
MW222.78 g/mol
LogP3.16
Rot. Bonds6

About 3-(2-butoxyethyl)-4-chlorothiolane

3-(2-butoxyethyl)-4-chlorothiolane (PubChem CID 83190056) has the molecular formula C10H19ClOS and a molecular weight of 222.78 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-4-chlorothiolane.

Molecular Properties

Compound Name3-(2-butoxyethyl)-4-chlorothiolane
PubChem CID83190056
Molecular FormulaC10H19ClOS
Molecular Weight222.78 g/mol
Exact Mass222.08
IUPAC Name3-(2-butoxyethyl)-4-chlorothiolane
SMILESCCCCOCCC1CSCC1Cl
InChIInChI=1S/C10H19ClOS/c1-2-3-5-12-6-4-9-7-13-8-10(9)11/h9-10H,2-8H2,1H3
InChIKeyDCOHIBRWETXCLP-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.78
LogP ≤ 53.16
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-(2-butoxyethyl)-4-chlorothiolane?
The IUPAC name of 3-(2-butoxyethyl)-4-chlorothiolane (CID 83190056) is 3-(2-butoxyethyl)-4-chlorothiolane.
What is the SMILES notation for 3-(2-butoxyethyl)-4-chlorothiolane?
The canonical SMILES for 3-(2-butoxyethyl)-4-chlorothiolane is CCCCOCCC1CSCC1Cl.
What is the InChIKey of 3-(2-butoxyethyl)-4-chlorothiolane?
The InChIKey is DCOHIBRWETXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOS/c1-2-3-5-12-6-4-9-7-13-8-10(9)11/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-4-chlorothiolane?
3-(2-butoxyethyl)-4-chlorothiolane has a molecular weight of 222.78 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-4-chlorothiolane is sourced from PubChem (CID 83190056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).