3-propyl-2-thiophen-2-ylthiophene

C11H12S2 — CID 69104145

IUPAC3-propyl-2-thiophen-2-ylthiophene
SMILESCCCc1ccsc1-c1cccs1
InChIInChI=1S/C11H12S2/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h3,5-8H,2,4H2,1H3
InChIKeyCDKBGAOCONWODC-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.43
Rot. Bonds3

About 3-propyl-2-thiophen-2-ylthiophene

3-propyl-2-thiophen-2-ylthiophene (PubChem CID 69104145) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-propyl-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-propyl-2-thiophen-2-ylthiophene
PubChem CID69104145
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name3-propyl-2-thiophen-2-ylthiophene
SMILESCCCc1ccsc1-c1cccs1
InChIInChI=1S/C11H12S2/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h3,5-8H,2,4H2,1H3
InChIKeyCDKBGAOCONWODC-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-thiophen-2-ylthiophene?
The IUPAC name of 3-propyl-2-thiophen-2-ylthiophene (CID 69104145) is 3-propyl-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-propyl-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-propyl-2-thiophen-2-ylthiophene is CCCc1ccsc1-c1cccs1.
What is the InChIKey of 3-propyl-2-thiophen-2-ylthiophene?
The InChIKey is CDKBGAOCONWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h3,5-8H,2,4H2,1H3.
What are the key properties of 3-propyl-2-thiophen-2-ylthiophene?
3-propyl-2-thiophen-2-ylthiophene has a molecular weight of 208.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-thiophen-2-ylthiophene is sourced from PubChem (CID 69104145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).