2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane

C14H22OS2 — CID 139957173

IUPAC2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane
SMILESC(=CC1CCCCS1)OC=CC1CCCCS1
InChIInChI=1S/C14H22OS2/c1-3-11-16-13(5-1)7-9-15-10-8-14-6-2-4-12-17-14/h7-10,13-14H,1-6,11-12H2
InChIKeyQJDQLKLLNBCGLE-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.60
Rot. Bonds4

About 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane

2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane (PubChem CID 139957173) has the molecular formula C14H22OS2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane.

Molecular Properties

Compound Name2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane
PubChem CID139957173
Molecular FormulaC14H22OS2
Molecular Weight270.46 g/mol
Exact Mass270.11
IUPAC Name2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane
SMILESC(=CC1CCCCS1)OC=CC1CCCCS1
InChIInChI=1S/C14H22OS2/c1-3-11-16-13(5-1)7-9-15-10-8-14-6-2-4-12-17-14/h7-10,13-14H,1-6,11-12H2
InChIKeyQJDQLKLLNBCGLE-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane?
The IUPAC name of 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane (CID 139957173) is 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane.
What is the SMILES notation for 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane?
The canonical SMILES for 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane is C(=CC1CCCCS1)OC=CC1CCCCS1.
What is the InChIKey of 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane?
The InChIKey is QJDQLKLLNBCGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS2/c1-3-11-16-13(5-1)7-9-15-10-8-14-6-2-4-12-17-14/h7-10,13-14H,1-6,11-12H2.
What are the key properties of 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane?
2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane has a molecular weight of 270.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(thian-2-yl)ethenoxy]ethenyl]thiane is sourced from PubChem (CID 139957173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).