2,4-dimethylthiophene-3-carbaldehyde;methanamine

C8H13NOS — CID 143797025

IUPAC2,4-dimethylthiophene-3-carbaldehyde;methanamine
SMILESCN.Cc1csc(C)c1C=O
InChIInChI=1S/C7H8OS.CH5N/c1-5-4-9-6(2)7(5)3-8;1-2/h3-4H,1-2H3;2H2,1H3
InChIKeyUILBODWCZQWWRZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.75
Rot. Bonds1

About 2,4-dimethylthiophene-3-carbaldehyde;methanamine

2,4-dimethylthiophene-3-carbaldehyde;methanamine (PubChem CID 143797025) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2,4-dimethylthiophene-3-carbaldehyde;methanamine.

Molecular Properties

Compound Name2,4-dimethylthiophene-3-carbaldehyde;methanamine
PubChem CID143797025
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2,4-dimethylthiophene-3-carbaldehyde;methanamine
SMILESCN.Cc1csc(C)c1C=O
InChIInChI=1S/C7H8OS.CH5N/c1-5-4-9-6(2)7(5)3-8;1-2/h3-4H,1-2H3;2H2,1H3
InChIKeyUILBODWCZQWWRZ-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-iodo-4-methylthiophene-3-carbaldehyde
CID 139709578
4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde
CID 82407562
4,5-dimethylthiophene-3-carbaldehyde
CID 14335813
3-ethyl-4-methylthiophene-2-carbaldehyde
CID 82416519
2-formyl-4-methylthiophene-3-carboxamide
CID 164540360
6-ethyl-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130913484
2,6-dimethylbenzaldehyde
CID 159545887
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130914822
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
2-methyl-4-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130821354
5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
CID 82388952
N-(2,4-dimethylthiophen-3-yl)acetamide
CID 71412387

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiophene-3-carbaldehyde;methanamine?
The IUPAC name of 2,4-dimethylthiophene-3-carbaldehyde;methanamine (CID 143797025) is 2,4-dimethylthiophene-3-carbaldehyde;methanamine.
What is the SMILES notation for 2,4-dimethylthiophene-3-carbaldehyde;methanamine?
The canonical SMILES for 2,4-dimethylthiophene-3-carbaldehyde;methanamine is CN.Cc1csc(C)c1C=O.
What is the InChIKey of 2,4-dimethylthiophene-3-carbaldehyde;methanamine?
The InChIKey is UILBODWCZQWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.CH5N/c1-5-4-9-6(2)7(5)3-8;1-2/h3-4H,1-2H3;2H2,1H3.
What are the key properties of 2,4-dimethylthiophene-3-carbaldehyde;methanamine?
2,4-dimethylthiophene-3-carbaldehyde;methanamine has a molecular weight of 171.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiophene-3-carbaldehyde;methanamine is sourced from PubChem (CID 143797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).