2-methylthiophene;toluene

C12H14S — CID 142082990

IUPAC2-methylthiophene;toluene
SMILESCc1ccccc1.Cc1cccs1
InChIInChI=1S/C7H8.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3
InChIKeyCJLAZZICCFREDD-UHFFFAOYSA-N
MW190.31 g/mol
LogP4.05
Rot. Bonds

About 2-methylthiophene;toluene

2-methylthiophene;toluene (PubChem CID 142082990) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methylthiophene;toluene.

Molecular Properties

Compound Name2-methylthiophene;toluene
PubChem CID142082990
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name2-methylthiophene;toluene
SMILESCc1ccccc1.Cc1cccs1
InChIInChI=1S/C7H8.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3
InChIKeyCJLAZZICCFREDD-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methylthiophene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentylthiophene
CID 20995
2-Butylthiophene
CID 73818
Benzo(B)Thiophene
CID 7221
2,4-Dimethylthiophene
CID 34296
2-Propylthiophene
CID 73771
2,3-Dimethylthiophene
CID 34295
3-Phenylthiophene
CID 75473
Benzyl phenyl sulfide
CID 13255
2-Phenylthiophene
CID 69999
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
5-Methylbenzo(b)thiophene
CID 84346

Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene;toluene?
The IUPAC name of 2-methylthiophene;toluene (CID 142082990) is 2-methylthiophene;toluene.
What is the SMILES notation for 2-methylthiophene;toluene?
The canonical SMILES for 2-methylthiophene;toluene is Cc1ccccc1.Cc1cccs1.
What is the InChIKey of 2-methylthiophene;toluene?
The InChIKey is CJLAZZICCFREDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3.
What are the key properties of 2-methylthiophene;toluene?
2-methylthiophene;toluene has a molecular weight of 190.31 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene;toluene is sourced from PubChem (CID 142082990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).