3-but-1-enyl-2-thiophen-2-ylthiophene

C12H12S2 — CID 54346500

IUPAC3-but-1-enyl-2-thiophen-2-ylthiophene
SMILESCCC=Cc1ccsc1-c1cccs1
InChIInChI=1S/C12H12S2/c1-2-3-5-10-7-9-14-12(10)11-6-4-8-13-11/h3-9H,2H2,1H3
InChIKeyUCQUNOZKVGVRBU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.90
Rot. Bonds3

About 3-but-1-enyl-2-thiophen-2-ylthiophene

3-but-1-enyl-2-thiophen-2-ylthiophene (PubChem CID 54346500) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-but-1-enyl-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-but-1-enyl-2-thiophen-2-ylthiophene
PubChem CID54346500
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name3-but-1-enyl-2-thiophen-2-ylthiophene
SMILESCCC=Cc1ccsc1-c1cccs1
InChIInChI=1S/C12H12S2/c1-2-3-5-10-7-9-14-12(10)11-6-4-8-13-11/h3-9H,2H2,1H3
InChIKeyUCQUNOZKVGVRBU-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-2-thiophen-2-ylthiophene?
The IUPAC name of 3-but-1-enyl-2-thiophen-2-ylthiophene (CID 54346500) is 3-but-1-enyl-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-but-1-enyl-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-but-1-enyl-2-thiophen-2-ylthiophene is CCC=Cc1ccsc1-c1cccs1.
What is the InChIKey of 3-but-1-enyl-2-thiophen-2-ylthiophene?
The InChIKey is UCQUNOZKVGVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S2/c1-2-3-5-10-7-9-14-12(10)11-6-4-8-13-11/h3-9H,2H2,1H3.
What are the key properties of 3-but-1-enyl-2-thiophen-2-ylthiophene?
3-but-1-enyl-2-thiophen-2-ylthiophene has a molecular weight of 220.36 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-2-thiophen-2-ylthiophene is sourced from PubChem (CID 54346500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).