2-ethynylthiophene;thiophene

C18H16S4 — CID 175440846

IUPAC2-ethynylthiophene;thiophene
SMILESC#Cc1cccs1.c1ccsc1.c1ccsc1.c1ccsc1
InChIInChI=1S/C6H4S.3C4H4S/c1-2-6-4-3-5-7-6;3*1-2-4-5-3-1/h1,3-5H;3*1-4H
InChIKeyURYJEDVSYOFISN-UHFFFAOYSA-N
MW360.59 g/mol
LogP6.97
Rot. Bonds

About 2-ethynylthiophene;thiophene

2-ethynylthiophene;thiophene (PubChem CID 175440846) has the molecular formula C18H16S4 and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-ethynylthiophene;thiophene.

Molecular Properties

Compound Name2-ethynylthiophene;thiophene
PubChem CID175440846
Molecular FormulaC18H16S4
Molecular Weight360.59 g/mol
Exact Mass360.01
IUPAC Name2-ethynylthiophene;thiophene
SMILESC#Cc1cccs1.c1ccsc1.c1ccsc1.c1ccsc1
InChIInChI=1S/C6H4S.3C4H4S/c1-2-6-4-3-5-7-6;3*1-2-4-5-3-1/h1,3-5H;3*1-4H
InChIKeyURYJEDVSYOFISN-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thiophene;thiophene-2-carbonitrile
CID 174388965
thiophene;2-thiophen-2-ylthiophene
CID 158809122
copper(1+);2-ethynylthiophene
CID 86222395
ethane;thiophene-2-carbonitrile
CID 143604797
chlorozinc(1+);2-ethynylthiophene
CID 14144481
thiophene
CID 66625890
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
thiophene;1-thiophen-2-ylpyrrole
CID 19853494
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
thiophene;thiophene-2-carboximidamide
CID 70158674
phosphane;thiophene
CID 162184194
iridium;thiophene
CID 175937556

Frequently Asked Questions

What is the IUPAC name of 2-ethynylthiophene;thiophene?
The IUPAC name of 2-ethynylthiophene;thiophene (CID 175440846) is 2-ethynylthiophene;thiophene.
What is the SMILES notation for 2-ethynylthiophene;thiophene?
The canonical SMILES for 2-ethynylthiophene;thiophene is C#Cc1cccs1.c1ccsc1.c1ccsc1.c1ccsc1.
What is the InChIKey of 2-ethynylthiophene;thiophene?
The InChIKey is URYJEDVSYOFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4S.3C4H4S/c1-2-6-4-3-5-7-6;3*1-2-4-5-3-1/h1,3-5H;3*1-4H.
What are the key properties of 2-ethynylthiophene;thiophene?
2-ethynylthiophene;thiophene has a molecular weight of 360.59 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylthiophene;thiophene is sourced from PubChem (CID 175440846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).