3-ethylthiepane

C8H16S — CID 58143173

IUPAC3-ethylthiepane
SMILESCCC1CCCCSC1
InChIInChI=1S/C8H16S/c1-2-8-5-3-4-6-9-7-8/h8H,2-7H2,1H3
InChIKeyCZFGAEGYYUJVFV-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds1

About 3-ethylthiepane

3-ethylthiepane (PubChem CID 58143173) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-ethylthiepane.

Molecular Properties

Compound Name3-ethylthiepane
PubChem CID58143173
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-ethylthiepane
SMILESCCC1CCCCSC1
InChIInChI=1S/C8H16S/c1-2-8-5-3-4-6-9-7-8/h8H,2-7H2,1H3
InChIKeyCZFGAEGYYUJVFV-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

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carbanide;bis(ethylcyclopentane);tungsten dihydride
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CID 14594138
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CID 174962953

Frequently Asked Questions

What is the IUPAC name of 3-ethylthiepane?
The IUPAC name of 3-ethylthiepane (CID 58143173) is 3-ethylthiepane.
What is the SMILES notation for 3-ethylthiepane?
The canonical SMILES for 3-ethylthiepane is CCC1CCCCSC1.
What is the InChIKey of 3-ethylthiepane?
The InChIKey is CZFGAEGYYUJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-8-5-3-4-6-9-7-8/h8H,2-7H2,1H3.
What are the key properties of 3-ethylthiepane?
3-ethylthiepane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthiepane is sourced from PubChem (CID 58143173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).