4-ethyl-5-methylthiophene-2-carbonitrile

C8H9NS — CID 134547860

IUPAC4-ethyl-5-methylthiophene-2-carbonitrile
SMILESCCc1cc(C#N)sc1C
InChIInChI=1S/C8H9NS/c1-3-7-4-8(5-9)10-6(7)2/h4H,3H2,1-2H3
InChIKeyJLKCCCLZKGROPG-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.49
Rot. Bonds1

About 4-ethyl-5-methylthiophene-2-carbonitrile

4-ethyl-5-methylthiophene-2-carbonitrile (PubChem CID 134547860) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-ethyl-5-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-ethyl-5-methylthiophene-2-carbonitrile
PubChem CID134547860
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4-ethyl-5-methylthiophene-2-carbonitrile
SMILESCCc1cc(C#N)sc1C
InChIInChI=1S/C8H9NS/c1-3-7-4-8(5-9)10-6(7)2/h4H,3H2,1-2H3
InChIKeyJLKCCCLZKGROPG-UHFFFAOYSA-N
XLogP2.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
CID 89336705
N,N-bis(cyanomethyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 78805824
(4-cyanophenyl)methyl 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801098
2-ethyl-4,5-dimethylbenzonitrile
CID 18728392
[2-(4-cyanoanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847482
methane;2-methyl-1,3-thiazole-5-carbonitrile;propane
CID 142565775
4,5-diethyl-2-propan-2-ylbenzonitrile
CID 71134969
3,5-diethyl-4-hydroxybenzonitrile
CID 21017
4-amino-2,6-diethylbenzonitrile
CID 25067369
4-butyl-5-[5-(3-butylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 58098266
3,4-diethylpyridine-2-carbonitrile
CID 139882541
5,6-diethylpyridine-3-carbonitrile
CID 18177672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylthiophene-2-carbonitrile?
The IUPAC name of 4-ethyl-5-methylthiophene-2-carbonitrile (CID 134547860) is 4-ethyl-5-methylthiophene-2-carbonitrile.
What is the SMILES notation for 4-ethyl-5-methylthiophene-2-carbonitrile?
The canonical SMILES for 4-ethyl-5-methylthiophene-2-carbonitrile is CCc1cc(C#N)sc1C.
What is the InChIKey of 4-ethyl-5-methylthiophene-2-carbonitrile?
The InChIKey is JLKCCCLZKGROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-7-4-8(5-9)10-6(7)2/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methylthiophene-2-carbonitrile?
4-ethyl-5-methylthiophene-2-carbonitrile has a molecular weight of 151.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylthiophene-2-carbonitrile is sourced from PubChem (CID 134547860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).