2-methylthiophene

C15H18S3 — CID 143626612

IUPAC2-methylthiophene
SMILESCc1cccs1.Cc1cccs1.Cc1cccs1
InChIInChI=1S/3C5H6S/c3*1-5-3-2-4-6-5/h3*2-4H,1H3
InChIKeyLFUWGPPDLAGQOO-UHFFFAOYSA-N
MW294.51 g/mol
LogP6.17
Rot. Bonds

About 2-methylthiophene

2-methylthiophene (PubChem CID 143626612) has the molecular formula C15H18S3 and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-methylthiophene.

Molecular Properties

Compound Name2-methylthiophene
PubChem CID143626612
Molecular FormulaC15H18S3
Molecular Weight294.51 g/mol
Exact Mass294.06
IUPAC Name2-methylthiophene
SMILESCc1cccs1.Cc1cccs1.Cc1cccs1
InChIInChI=1S/3C5H6S/c3*1-5-3-2-4-6-5/h3*2-4H,1H3
InChIKeyLFUWGPPDLAGQOO-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylthiophene;hydroiodide
CID 173425781
ethane;2-methylthiophene
CID 90990568
sodium;hydride;2-methylthiophene
CID 173118231
2-methylthiophene;toluene
CID 142082990
2-methylthionine;dihydrate
CID 118481373
2-methylthiophene;urea
CID 162125784
potassium;hydride;2-methylthiophene;tritetrafluoroborate
CID 175180205
2-chlorothiophene;2-methylthiophene
CID 67830690
N-methylpropan-2-amine;2-methylthiophene
CID 142896326
2,2-dimethylpropanal;2-methylthiophene
CID 142240012
ethane;2-methylthiophene;3-methylthiophene
CID 142916163
ethane;2-methylfuran;2-methylthiophene
CID 143639755

Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene?
The IUPAC name of 2-methylthiophene (CID 143626612) is 2-methylthiophene.
What is the SMILES notation for 2-methylthiophene?
The canonical SMILES for 2-methylthiophene is Cc1cccs1.Cc1cccs1.Cc1cccs1.
What is the InChIKey of 2-methylthiophene?
The InChIKey is LFUWGPPDLAGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6S/c3*1-5-3-2-4-6-5/h3*2-4H,1H3.
What are the key properties of 2-methylthiophene?
2-methylthiophene has a molecular weight of 294.51 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene is sourced from PubChem (CID 143626612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).