3-ethyl-3-methyl-2H-thiophene-2-carbonitrile

C8H11NS — CID 70102936

IUPAC3-ethyl-3-methyl-2H-thiophene-2-carbonitrile
SMILESCCC1(C)C=CSC1C#N
InChIInChI=1S/C8H11NS/c1-3-8(2)4-5-10-7(8)6-9/h4-5,7H,3H2,1-2H3
InChIKeyWWWAKCLWTBJVHX-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.56
Rot. Bonds1

About 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile

3-ethyl-3-methyl-2H-thiophene-2-carbonitrile (PubChem CID 70102936) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-3-methyl-2H-thiophene-2-carbonitrile
PubChem CID70102936
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-ethyl-3-methyl-2H-thiophene-2-carbonitrile
SMILESCCC1(C)C=CSC1C#N
InChIInChI=1S/C8H11NS/c1-3-8(2)4-5-10-7(8)6-9/h4-5,7H,3H2,1-2H3
InChIKeyWWWAKCLWTBJVHX-UHFFFAOYSA-N
XLogP2.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile?
The IUPAC name of 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile (CID 70102936) is 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile.
What is the SMILES notation for 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile?
The canonical SMILES for 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile is CCC1(C)C=CSC1C#N.
What is the InChIKey of 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile?
The InChIKey is WWWAKCLWTBJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-8(2)4-5-10-7(8)6-9/h4-5,7H,3H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile?
3-ethyl-3-methyl-2H-thiophene-2-carbonitrile has a molecular weight of 153.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2H-thiophene-2-carbonitrile is sourced from PubChem (CID 70102936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).