1,1-dimethylthiophene

C6H10S — CID 18717507

IUPAC1,1-dimethylthiophene
SMILESCS1(C)C=CC=C1
InChIInChI=1S/C6H10S/c1-7(2)5-3-4-6-7/h3-6H,1-2H3
InChIKeyWIOCVQATSPXWPK-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.09
Rot. Bonds

About 1,1-dimethylthiophene

1,1-dimethylthiophene (PubChem CID 18717507) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 1,1-dimethylthiophene.

Molecular Properties

Compound Name1,1-dimethylthiophene
PubChem CID18717507
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name1,1-dimethylthiophene
SMILESCS1(C)C=CC=C1
InChIInChI=1S/C6H10S/c1-7(2)5-3-4-6-7/h3-6H,1-2H3
InChIKeyWIOCVQATSPXWPK-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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CID 13509609
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CID 5367926
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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylthiophene?
The IUPAC name of 1,1-dimethylthiophene (CID 18717507) is 1,1-dimethylthiophene.
What is the SMILES notation for 1,1-dimethylthiophene?
The canonical SMILES for 1,1-dimethylthiophene is CS1(C)C=CC=C1.
What is the InChIKey of 1,1-dimethylthiophene?
The InChIKey is WIOCVQATSPXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-7(2)5-3-4-6-7/h3-6H,1-2H3.
What are the key properties of 1,1-dimethylthiophene?
1,1-dimethylthiophene has a molecular weight of 114.21 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylthiophene is sourced from PubChem (CID 18717507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).