3-methyl-2-methylsulfanylthiophene

C6H8S2 — CID 12844673

IUPAC3-methyl-2-methylsulfanylthiophene
SMILESCSc1sccc1C
InChIInChI=1S/C6H8S2/c1-5-3-4-8-6(5)7-2/h3-4H,1-2H3
InChIKeyKKAGIXFQVFDQGN-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.78
Rot. Bonds1

About 3-methyl-2-methylsulfanylthiophene

3-methyl-2-methylsulfanylthiophene (PubChem CID 12844673) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylthiophene.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylthiophene
PubChem CID12844673
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name3-methyl-2-methylsulfanylthiophene
SMILESCSc1sccc1C
InChIInChI=1S/C6H8S2/c1-5-3-4-8-6(5)7-2/h3-4H,1-2H3
InChIKeyKKAGIXFQVFDQGN-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanylthiophene?
The IUPAC name of 3-methyl-2-methylsulfanylthiophene (CID 12844673) is 3-methyl-2-methylsulfanylthiophene.
What is the SMILES notation for 3-methyl-2-methylsulfanylthiophene?
The canonical SMILES for 3-methyl-2-methylsulfanylthiophene is CSc1sccc1C.
What is the InChIKey of 3-methyl-2-methylsulfanylthiophene?
The InChIKey is KKAGIXFQVFDQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-5-3-4-8-6(5)7-2/h3-4H,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanylthiophene?
3-methyl-2-methylsulfanylthiophene has a molecular weight of 144.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylthiophene is sourced from PubChem (CID 12844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).