2,5-bis(ethenyl)-1,4-dithiane

C8H12S2 — CID 170403521

IUPAC2,5-bis(ethenyl)-1,4-dithiane
SMILESC=CC1CSC(C=C)CS1
InChIInChI=1S/C8H12S2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2
InChIKeyYHWYBRUYJLFQFK-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.58
Rot. Bonds2

About 2,5-bis(ethenyl)-1,4-dithiane

2,5-bis(ethenyl)-1,4-dithiane (PubChem CID 170403521) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-1,4-dithiane.

Molecular Properties

Compound Name2,5-bis(ethenyl)-1,4-dithiane
PubChem CID170403521
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2,5-bis(ethenyl)-1,4-dithiane
SMILESC=CC1CSC(C=C)CS1
InChIInChI=1S/C8H12S2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2
InChIKeyYHWYBRUYJLFQFK-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-1,4-dithiane?
The IUPAC name of 2,5-bis(ethenyl)-1,4-dithiane (CID 170403521) is 2,5-bis(ethenyl)-1,4-dithiane.
What is the SMILES notation for 2,5-bis(ethenyl)-1,4-dithiane?
The canonical SMILES for 2,5-bis(ethenyl)-1,4-dithiane is C=CC1CSC(C=C)CS1.
What is the InChIKey of 2,5-bis(ethenyl)-1,4-dithiane?
The InChIKey is YHWYBRUYJLFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,5-bis(ethenyl)-1,4-dithiane?
2,5-bis(ethenyl)-1,4-dithiane has a molecular weight of 172.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-1,4-dithiane is sourced from PubChem (CID 170403521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).