4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile

C7H7NOS — CID 89336705

IUPAC4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
SMILESCc1sc(C#N)cc1CO
InChIInChI=1S/C7H7NOS/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,4H2,1H3
InChIKeyHOTMPMRFZOZYLO-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.42
Rot. Bonds1

About 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile

4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile (PubChem CID 89336705) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
PubChem CID89336705
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
SMILESCc1sc(C#N)cc1CO
InChIInChI=1S/C7H7NOS/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,4H2,1H3
InChIKeyHOTMPMRFZOZYLO-UHFFFAOYSA-N
XLogP1.42
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile (CID 89336705) is 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile is Cc1sc(C#N)cc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile?
The InChIKey is HOTMPMRFZOZYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-5-6(4-9)2-7(3-8)10-5/h2,9H,4H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile?
4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile is sourced from PubChem (CID 89336705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).