2-ethynyl-3-propylthiophene

C9H10S — CID 139951479

IUPAC2-ethynyl-3-propylthiophene
SMILESC#Cc1sccc1CCC
InChIInChI=1S/C9H10S/c1-3-5-8-6-7-10-9(8)4-2/h2,6-7H,3,5H2,1H3
InChIKeyOAMKPGTWCIRSKN-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.68
Rot. Bonds2

About 2-ethynyl-3-propylthiophene

2-ethynyl-3-propylthiophene (PubChem CID 139951479) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2-ethynyl-3-propylthiophene.

Molecular Properties

Compound Name2-ethynyl-3-propylthiophene
PubChem CID139951479
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2-ethynyl-3-propylthiophene
SMILESC#Cc1sccc1CCC
InChIInChI=1S/C9H10S/c1-3-5-8-6-7-10-9(8)4-2/h2,6-7H,3,5H2,1H3
InChIKeyOAMKPGTWCIRSKN-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 52.68
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-ethynyl-3-propylthiophene?
The IUPAC name of 2-ethynyl-3-propylthiophene (CID 139951479) is 2-ethynyl-3-propylthiophene.
What is the SMILES notation for 2-ethynyl-3-propylthiophene?
The canonical SMILES for 2-ethynyl-3-propylthiophene is C#Cc1sccc1CCC.
What is the InChIKey of 2-ethynyl-3-propylthiophene?
The InChIKey is OAMKPGTWCIRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-3-5-8-6-7-10-9(8)4-2/h2,6-7H,3,5H2,1H3.
What are the key properties of 2-ethynyl-3-propylthiophene?
2-ethynyl-3-propylthiophene has a molecular weight of 150.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3-propylthiophene is sourced from PubChem (CID 139951479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).