2-ethyl-3-ethynylthiophene

C8H8S — CID 139951476

IUPAC2-ethyl-3-ethynylthiophene
SMILESC#Cc1ccsc1CC
InChIInChI=1S/C8H8S/c1-3-7-5-6-9-8(7)4-2/h1,5-6H,4H2,2H3
InChIKeyMXMGXQKTPAOQQP-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.29
Rot. Bonds1

About 2-ethyl-3-ethynylthiophene

2-ethyl-3-ethynylthiophene (PubChem CID 139951476) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-ethyl-3-ethynylthiophene.

Molecular Properties

Compound Name2-ethyl-3-ethynylthiophene
PubChem CID139951476
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name2-ethyl-3-ethynylthiophene
SMILESC#Cc1ccsc1CC
InChIInChI=1S/C8H8S/c1-3-7-5-6-9-8(7)4-2/h1,5-6H,4H2,2H3
InChIKeyMXMGXQKTPAOQQP-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-ethynylthiophene?
The IUPAC name of 2-ethyl-3-ethynylthiophene (CID 139951476) is 2-ethyl-3-ethynylthiophene.
What is the SMILES notation for 2-ethyl-3-ethynylthiophene?
The canonical SMILES for 2-ethyl-3-ethynylthiophene is C#Cc1ccsc1CC.
What is the InChIKey of 2-ethyl-3-ethynylthiophene?
The InChIKey is MXMGXQKTPAOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-3-7-5-6-9-8(7)4-2/h1,5-6H,4H2,2H3.
What are the key properties of 2-ethyl-3-ethynylthiophene?
2-ethyl-3-ethynylthiophene has a molecular weight of 136.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-ethynylthiophene is sourced from PubChem (CID 139951476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).