2-ethylthiophene

C6H8S — CID 13388

IUPAC2-ethylthiophene
SMILESCCc1cccs1
InChIInChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKeyJCCCMAAJYSNBPR-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.31
Rot. Bonds1

About 2-ethylthiophene

2-ethylthiophene (PubChem CID 13388) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 2-ethylthiophene.

Molecular Properties

Compound Name2-ethylthiophene
PubChem CID13388
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name2-ethylthiophene
SMILESCCc1cccs1
InChIInChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKeyJCCCMAAJYSNBPR-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylthiophene
CID 20995
2-Methylthiophene
CID 11126
Thenyl mercaptan
CID 80408
3-Mercapto-2-methylthiophene
CID 75664
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Octylthiophene
CID 70153
2-Ethyl-5-methylthiophene
CID 520990
2,4-Dimethylthiophene
CID 34296
2-Propylthiophene
CID 73771
2-Butyl-5-ethylthiophene
CID 521504

Frequently Asked Questions

What is the IUPAC name of 2-ethylthiophene?
The IUPAC name of 2-ethylthiophene (CID 13388) is 2-ethylthiophene.
What is the SMILES notation for 2-ethylthiophene?
The canonical SMILES for 2-ethylthiophene is CCc1cccs1.
What is the InChIKey of 2-ethylthiophene?
The InChIKey is JCCCMAAJYSNBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylthiophene?
2-ethylthiophene has a molecular weight of 112.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiophene is sourced from PubChem (CID 13388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).