2,4,6-tris(prop-2-enyl)-1,3,5-trithiane

C12H18S3 — CID 58173787

IUPAC2,4,6-tris(prop-2-enyl)-1,3,5-trithiane
SMILESC=CCC1SC(CC=C)SC(CC=C)S1
InChIInChI=1S/C12H18S3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyGXHRWVLGFPNAAG-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.91
Rot. Bonds6

About 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane

2,4,6-tris(prop-2-enyl)-1,3,5-trithiane (PubChem CID 58173787) has the molecular formula C12H18S3 and a molecular weight of 258.48 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane.

Molecular Properties

Compound Name2,4,6-tris(prop-2-enyl)-1,3,5-trithiane
PubChem CID58173787
Molecular FormulaC12H18S3
Molecular Weight258.48 g/mol
Exact Mass258.06
IUPAC Name2,4,6-tris(prop-2-enyl)-1,3,5-trithiane
SMILESC=CCC1SC(CC=C)SC(CC=C)S1
InChIInChI=1S/C12H18S3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6,10-12H,1-3,7-9H2
InChIKeyGXHRWVLGFPNAAG-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane?
The IUPAC name of 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane (CID 58173787) is 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane.
What is the SMILES notation for 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane?
The canonical SMILES for 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane is C=CCC1SC(CC=C)SC(CC=C)S1.
What is the InChIKey of 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane?
The InChIKey is GXHRWVLGFPNAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6,10-12H,1-3,7-9H2.
What are the key properties of 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane?
2,4,6-tris(prop-2-enyl)-1,3,5-trithiane has a molecular weight of 258.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-2-enyl)-1,3,5-trithiane is sourced from PubChem (CID 58173787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).