3-pent-1-enylthiophene

C9H12S — CID 91379808

IUPAC3-pent-1-enylthiophene
SMILESCCCC=Cc1ccsc1
InChIInChI=1S/C9H12S/c1-2-3-4-5-9-6-7-10-8-9/h4-8H,2-3H2,1H3
InChIKeyJXXNZOWHLXPLTM-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.56
Rot. Bonds3

About 3-pent-1-enylthiophene

3-pent-1-enylthiophene (PubChem CID 91379808) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 3-pent-1-enylthiophene.

Molecular Properties

Compound Name3-pent-1-enylthiophene
PubChem CID91379808
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name3-pent-1-enylthiophene
SMILESCCCC=Cc1ccsc1
InChIInChI=1S/C9H12S/c1-2-3-4-5-9-6-7-10-8-9/h4-8H,2-3H2,1H3
InChIKeyJXXNZOWHLXPLTM-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-pent-1-enylthiophene?
The IUPAC name of 3-pent-1-enylthiophene (CID 91379808) is 3-pent-1-enylthiophene.
What is the SMILES notation for 3-pent-1-enylthiophene?
The canonical SMILES for 3-pent-1-enylthiophene is CCCC=Cc1ccsc1.
What is the InChIKey of 3-pent-1-enylthiophene?
The InChIKey is JXXNZOWHLXPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-2-3-4-5-9-6-7-10-8-9/h4-8H,2-3H2,1H3.
What are the key properties of 3-pent-1-enylthiophene?
3-pent-1-enylthiophene has a molecular weight of 152.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-enylthiophene is sourced from PubChem (CID 91379808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).