1-ethenylidene-3-propylthiophene

C9H12S — CID 56997286

IUPAC1-ethenylidene-3-propylthiophene
SMILESC=C=S1C=CC(CCC)=C1
InChIInChI=1S/C9H12S/c1-3-5-9-6-7-10(4-2)8-9/h6-8H,2-3,5H2,1H3
InChIKeyBBOXEAIPLGLIII-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.05
Rot. Bonds2

About 1-ethenylidene-3-propylthiophene

1-ethenylidene-3-propylthiophene (PubChem CID 56997286) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-ethenylidene-3-propylthiophene.

Molecular Properties

Compound Name1-ethenylidene-3-propylthiophene
PubChem CID56997286
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name1-ethenylidene-3-propylthiophene
SMILESC=C=S1C=CC(CCC)=C1
InChIInChI=1S/C9H12S/c1-3-5-9-6-7-10(4-2)8-9/h6-8H,2-3,5H2,1H3
InChIKeyBBOXEAIPLGLIII-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylidene-3-propylthiophene?
The IUPAC name of 1-ethenylidene-3-propylthiophene (CID 56997286) is 1-ethenylidene-3-propylthiophene.
What is the SMILES notation for 1-ethenylidene-3-propylthiophene?
The canonical SMILES for 1-ethenylidene-3-propylthiophene is C=C=S1C=CC(CCC)=C1.
What is the InChIKey of 1-ethenylidene-3-propylthiophene?
The InChIKey is BBOXEAIPLGLIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-5-9-6-7-10(4-2)8-9/h6-8H,2-3,5H2,1H3.
What are the key properties of 1-ethenylidene-3-propylthiophene?
1-ethenylidene-3-propylthiophene has a molecular weight of 152.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylidene-3-propylthiophene is sourced from PubChem (CID 56997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).