3-methylthiophene

C5H6S — CID 12024

IUPAC3-methylthiophene
SMILESCc1ccsc1
InChIInChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKeyQENGPZGAWFQWCZ-UHFFFAOYSA-N
MW98.17 g/mol
LogP2.06
Rot. Bonds

About 3-methylthiophene

3-methylthiophene (PubChem CID 12024) has the molecular formula C5H6S and a molecular weight of 98.17 g/mol. Its IUPAC name is 3-methylthiophene.

Molecular Properties

Compound Name3-methylthiophene
PubChem CID12024
Molecular FormulaC5H6S
Molecular Weight98.17 g/mol
Exact Mass98.02
IUPAC Name3-methylthiophene
SMILESCc1ccsc1
InChIInChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKeyQENGPZGAWFQWCZ-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thiophene
CID 8030
3,4-Dimethylthiophene
CID 79089
2-Thiophenethiol
CID 522674
3-(Methylthio)methylthiophene
CID 20158044
3-Thiophenethiol
CID 82202
3-(Methylthio)thiophene
CID 519806
4-Methylthiophene-2-boronic acid
CID 2734373
2-(Methylthio)thiophene
CID 79844
2-Bromo-3-methylthiophene
CID 84314
3-Ethenylthiophene
CID 10887853
2-Chloro-3-methylthiophene
CID 84365
3-(Trifluoromethyl)thiophene
CID 2769441

Frequently Asked Questions

What is the IUPAC name of 3-methylthiophene?
The IUPAC name of 3-methylthiophene (CID 12024) is 3-methylthiophene.
What is the SMILES notation for 3-methylthiophene?
The canonical SMILES for 3-methylthiophene is Cc1ccsc1.
What is the InChIKey of 3-methylthiophene?
The InChIKey is QENGPZGAWFQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3.
What are the key properties of 3-methylthiophene?
3-methylthiophene has a molecular weight of 98.17 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiophene is sourced from PubChem (CID 12024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).