3-butylthiolane

C8H16S — CID 568113

IUPAC3-butylthiolane
SMILESCCCCC1CCSC1
InChIInChI=1S/C8H16S/c1-2-3-4-8-5-6-9-7-8/h8H,2-7H2,1H3
InChIKeyWEWIGXOEGOJCIE-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds3

About 3-butylthiolane

3-butylthiolane (PubChem CID 568113) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-butylthiolane.

Molecular Properties

Compound Name3-butylthiolane
PubChem CID568113
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-butylthiolane
SMILESCCCCC1CCSC1
InChIInChI=1S/C8H16S/c1-2-3-4-8-5-6-9-7-8/h8H,2-7H2,1H3
InChIKeyWEWIGXOEGOJCIE-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylthiolane?
The IUPAC name of 3-butylthiolane (CID 568113) is 3-butylthiolane.
What is the SMILES notation for 3-butylthiolane?
The canonical SMILES for 3-butylthiolane is CCCCC1CCSC1.
What is the InChIKey of 3-butylthiolane?
The InChIKey is WEWIGXOEGOJCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-3-4-8-5-6-9-7-8/h8H,2-7H2,1H3.
What are the key properties of 3-butylthiolane?
3-butylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylthiolane is sourced from PubChem (CID 568113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).