3-pent-4-yn-2-ylthiophene

C9H10S — CID 83927679

IUPAC3-pent-4-yn-2-ylthiophene
SMILESC#CCC(C)c1ccsc1
InChIInChI=1S/C9H10S/c1-3-4-8(2)9-5-6-10-7-9/h1,5-8H,4H2,2H3
InChIKeyDPKUFAKQRGZRMR-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.87
Rot. Bonds2

About 3-pent-4-yn-2-ylthiophene

3-pent-4-yn-2-ylthiophene (PubChem CID 83927679) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 3-pent-4-yn-2-ylthiophene.

Molecular Properties

Compound Name3-pent-4-yn-2-ylthiophene
PubChem CID83927679
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name3-pent-4-yn-2-ylthiophene
SMILESC#CCC(C)c1ccsc1
InChIInChI=1S/C9H10S/c1-3-4-8(2)9-5-6-10-7-9/h1,5-8H,4H2,2H3
InChIKeyDPKUFAKQRGZRMR-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

3-Ethylthiophene
CID 74530
3-Butylthiophene
CID 566339
3,4-Diethylthiophene
CID 520753
3-Propylthiophene
CID 519073
3-(4-Methylpent-3-enyl)thiophene
CID 566107
3-Hexylthiophene
CID 566849
3-Octylthiophene
CID 566852
3-Pentylthiophene
CID 15345429
3-tert-Butylthiophene
CID 137156
3-Heptylthiophene
CID 566850
Thiophene, 3-(1-methylethyl)-
CID 520437
3-Methyl-2-prenylthiophene
CID 10942818

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-yn-2-ylthiophene?
The IUPAC name of 3-pent-4-yn-2-ylthiophene (CID 83927679) is 3-pent-4-yn-2-ylthiophene.
What is the SMILES notation for 3-pent-4-yn-2-ylthiophene?
The canonical SMILES for 3-pent-4-yn-2-ylthiophene is C#CCC(C)c1ccsc1.
What is the InChIKey of 3-pent-4-yn-2-ylthiophene?
The InChIKey is DPKUFAKQRGZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-3-4-8(2)9-5-6-10-7-9/h1,5-8H,4H2,2H3.
What are the key properties of 3-pent-4-yn-2-ylthiophene?
3-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 3-pent-4-yn-2-ylthiophene is sourced from PubChem (CID 83927679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).