2-(2,6-dimethylphenyl)thiophene

C12H12S — CID 58838883

IUPAC2-(2,6-dimethylphenyl)thiophene
SMILESCc1cccc(C)c1-c1cccs1
InChIInChI=1S/C12H12S/c1-9-5-3-6-10(2)12(9)11-7-4-8-13-11/h3-8H,1-2H3
InChIKeySPCZERWQJSWTHS-UHFFFAOYSA-N
MW188.29 g/mol
LogP4.03
Rot. Bonds1

About 2-(2,6-dimethylphenyl)thiophene

2-(2,6-dimethylphenyl)thiophene (PubChem CID 58838883) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)thiophene.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)thiophene
PubChem CID58838883
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name2-(2,6-dimethylphenyl)thiophene
SMILESCc1cccc(C)c1-c1cccs1
InChIInChI=1S/C12H12S/c1-9-5-3-6-10(2)12(9)11-7-4-8-13-11/h3-8H,1-2H3
InChIKeySPCZERWQJSWTHS-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-thiophen-2-ylbenzamide
CID 67400493
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
CID 67822914
CID 67822914
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 107984276
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
CID 176589323
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198589
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502378
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344435
ethane;2-methyl-4-thiophen-2-ylaniline
CID 143928116
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
CID 141257893

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)thiophene?
The IUPAC name of 2-(2,6-dimethylphenyl)thiophene (CID 58838883) is 2-(2,6-dimethylphenyl)thiophene.
What is the SMILES notation for 2-(2,6-dimethylphenyl)thiophene?
The canonical SMILES for 2-(2,6-dimethylphenyl)thiophene is Cc1cccc(C)c1-c1cccs1.
What is the InChIKey of 2-(2,6-dimethylphenyl)thiophene?
The InChIKey is SPCZERWQJSWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-9-5-3-6-10(2)12(9)11-7-4-8-13-11/h3-8H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)thiophene?
2-(2,6-dimethylphenyl)thiophene has a molecular weight of 188.29 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)thiophene is sourced from PubChem (CID 58838883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).