2-ethylthiane

C7H14S — CID 519221

IUPAC2-ethylthiane
SMILESCCC1CCCCS1
InChIInChI=1S/C7H14S/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3
InChIKeyGYIFZSXJAVPBLL-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds1

About 2-ethylthiane

2-ethylthiane (PubChem CID 519221) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-ethylthiane.

Molecular Properties

Compound Name2-ethylthiane
PubChem CID519221
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-ethylthiane
SMILESCCC1CCCCS1
InChIInChI=1S/C7H14S/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3
InChIKeyGYIFZSXJAVPBLL-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiane?
The IUPAC name of 2-ethylthiane (CID 519221) is 2-ethylthiane.
What is the SMILES notation for 2-ethylthiane?
The canonical SMILES for 2-ethylthiane is CCC1CCCCS1.
What is the InChIKey of 2-ethylthiane?
The InChIKey is GYIFZSXJAVPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-2-7-5-3-4-6-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-ethylthiane?
2-ethylthiane has a molecular weight of 130.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiane is sourced from PubChem (CID 519221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).