2-pent-4-yn-2-ylthiophene

C9H10S — CID 83934777

IUPAC2-pent-4-yn-2-ylthiophene
SMILESC#CCC(C)c1cccs1
InChIInChI=1S/C9H10S/c1-3-5-8(2)9-6-4-7-10-9/h1,4,6-8H,5H2,2H3
InChIKeyMTOQROOSMDKIOM-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.87
Rot. Bonds2

About 2-pent-4-yn-2-ylthiophene

2-pent-4-yn-2-ylthiophene (PubChem CID 83934777) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2-pent-4-yn-2-ylthiophene.

Molecular Properties

Compound Name2-pent-4-yn-2-ylthiophene
PubChem CID83934777
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2-pent-4-yn-2-ylthiophene
SMILESC#CCC(C)c1cccs1
InChIInChI=1S/C9H10S/c1-3-5-8(2)9-6-4-7-10-9/h1,4,6-8H,5H2,2H3
InChIKeyMTOQROOSMDKIOM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-yn-3-ylthiophene
CID 83934801
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
2-propan-2-ylthiophene
CID 178128598
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
2-(6-methylheptan-2-yl)thiophene
CID 141463687
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
2-thiophen-2-ylpropane-1-sulfonyl chloride
CID 83642993
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
2-(2-methylbut-3-ynyl)thiophene
CID 83934797

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-yn-2-ylthiophene?
The IUPAC name of 2-pent-4-yn-2-ylthiophene (CID 83934777) is 2-pent-4-yn-2-ylthiophene.
What is the SMILES notation for 2-pent-4-yn-2-ylthiophene?
The canonical SMILES for 2-pent-4-yn-2-ylthiophene is C#CCC(C)c1cccs1.
What is the InChIKey of 2-pent-4-yn-2-ylthiophene?
The InChIKey is MTOQROOSMDKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-3-5-8(2)9-6-4-7-10-9/h1,4,6-8H,5H2,2H3.
What are the key properties of 2-pent-4-yn-2-ylthiophene?
2-pent-4-yn-2-ylthiophene has a molecular weight of 150.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-yn-2-ylthiophene is sourced from PubChem (CID 83934777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).