2-(2-methylbut-3-ynyl)thiophene

C9H10S — CID 83934797

IUPAC2-(2-methylbut-3-ynyl)thiophene
SMILESC#CC(C)Cc1cccs1
InChIInChI=1S/C9H10S/c1-3-8(2)7-9-5-4-6-10-9/h1,4-6,8H,7H2,2H3
InChIKeyVQSZDHAKRNQQAS-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-methylbut-3-ynyl)thiophene

2-(2-methylbut-3-ynyl)thiophene (PubChem CID 83934797) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2-(2-methylbut-3-ynyl)thiophene.

Molecular Properties

Compound Name2-(2-methylbut-3-ynyl)thiophene
PubChem CID83934797
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2-(2-methylbut-3-ynyl)thiophene
SMILESC#CC(C)Cc1cccs1
InChIInChI=1S/C9H10S/c1-3-8(2)7-9-5-4-6-10-9/h1,4-6,8H,7H2,2H3
InChIKeyVQSZDHAKRNQQAS-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-(2-methylbut-3-ynyl)thiophene?
The IUPAC name of 2-(2-methylbut-3-ynyl)thiophene (CID 83934797) is 2-(2-methylbut-3-ynyl)thiophene.
What is the SMILES notation for 2-(2-methylbut-3-ynyl)thiophene?
The canonical SMILES for 2-(2-methylbut-3-ynyl)thiophene is C#CC(C)Cc1cccs1.
What is the InChIKey of 2-(2-methylbut-3-ynyl)thiophene?
The InChIKey is VQSZDHAKRNQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-3-8(2)7-9-5-4-6-10-9/h1,4-6,8H,7H2,2H3.
What are the key properties of 2-(2-methylbut-3-ynyl)thiophene?
2-(2-methylbut-3-ynyl)thiophene has a molecular weight of 150.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-ynyl)thiophene is sourced from PubChem (CID 83934797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).