2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene

C13H14S — CID 144725265

IUPAC2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene
SMILESC=Cc1sc(C(=C)C)c(C=C)c1C=C
InChIInChI=1S/C13H14S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h6-8H,1-4H2,5H3
InChIKeySNADYNASMADVHJ-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.71
Rot. Bonds4

About 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene

2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene (PubChem CID 144725265) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene.

Molecular Properties

Compound Name2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene
PubChem CID144725265
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene
SMILESC=Cc1sc(C(=C)C)c(C=C)c1C=C
InChIInChI=1S/C13H14S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h6-8H,1-4H2,5H3
InChIKeySNADYNASMADVHJ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene?
The IUPAC name of 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene (CID 144725265) is 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene.
What is the SMILES notation for 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene?
The canonical SMILES for 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene is C=Cc1sc(C(=C)C)c(C=C)c1C=C.
What is the InChIKey of 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene?
The InChIKey is SNADYNASMADVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h6-8H,1-4H2,5H3.
What are the key properties of 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene?
2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene has a molecular weight of 202.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(ethenyl)-5-prop-1-en-2-ylthiophene is sourced from PubChem (CID 144725265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).