2,4,5-trimethylthiophene-3-carbonitrile

C8H9NS — CID 20818008

IUPAC2,4,5-trimethylthiophene-3-carbonitrile
SMILESCc1sc(C)c(C#N)c1C
InChIInChI=1S/C8H9NS/c1-5-6(2)10-7(3)8(5)4-9/h1-3H3
InChIKeyIROFRSNEFLBRPE-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.55
Rot. Bonds

About 2,4,5-trimethylthiophene-3-carbonitrile

2,4,5-trimethylthiophene-3-carbonitrile (PubChem CID 20818008) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,4,5-trimethylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trimethylthiophene-3-carbonitrile
PubChem CID20818008
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2,4,5-trimethylthiophene-3-carbonitrile
SMILESCc1sc(C)c(C#N)c1C
InChIInChI=1S/C8H9NS/c1-5-6(2)10-7(3)8(5)4-9/h1-3H3
InChIKeyIROFRSNEFLBRPE-UHFFFAOYSA-N
XLogP2.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylthiophene-3-carbonitrile?
The IUPAC name of 2,4,5-trimethylthiophene-3-carbonitrile (CID 20818008) is 2,4,5-trimethylthiophene-3-carbonitrile.
What is the SMILES notation for 2,4,5-trimethylthiophene-3-carbonitrile?
The canonical SMILES for 2,4,5-trimethylthiophene-3-carbonitrile is Cc1sc(C)c(C#N)c1C.
What is the InChIKey of 2,4,5-trimethylthiophene-3-carbonitrile?
The InChIKey is IROFRSNEFLBRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-5-6(2)10-7(3)8(5)4-9/h1-3H3.
What are the key properties of 2,4,5-trimethylthiophene-3-carbonitrile?
2,4,5-trimethylthiophene-3-carbonitrile has a molecular weight of 151.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylthiophene-3-carbonitrile is sourced from PubChem (CID 20818008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).