1-(5-methylsulfanylthiophen-2-yl)ethanone

C7H8OS2 — CID 678410

IUPAC1-(5-methylsulfanylthiophen-2-yl)ethanone
SMILESCSc1ccc(C(C)=O)s1
InChIInChI=1S/C7H8OS2/c1-5(8)6-3-4-7(9-2)10-6/h3-4H,1-2H3
InChIKeyNGYCRGSBNRKLQS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.67
Rot. Bonds2

About 1-(5-methylsulfanylthiophen-2-yl)ethanone

1-(5-methylsulfanylthiophen-2-yl)ethanone (PubChem CID 678410) has the molecular formula C7H8OS2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(5-methylsulfanylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylsulfanylthiophen-2-yl)ethanone
PubChem CID678410
Molecular FormulaC7H8OS2
Molecular Weight172.27 g/mol
Exact Mass172.00
IUPAC Name1-(5-methylsulfanylthiophen-2-yl)ethanone
SMILESCSc1ccc(C(C)=O)s1
InChIInChI=1S/C7H8OS2/c1-5(8)6-3-4-7(9-2)10-6/h3-4H,1-2H3
InChIKeyNGYCRGSBNRKLQS-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methylsulfanylthiophen-2-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfanylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-methylsulfanylthiophen-2-yl)ethanone (CID 678410) is 1-(5-methylsulfanylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylsulfanylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-methylsulfanylthiophen-2-yl)ethanone is CSc1ccc(C(C)=O)s1.
What is the InChIKey of 1-(5-methylsulfanylthiophen-2-yl)ethanone?
The InChIKey is NGYCRGSBNRKLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS2/c1-5(8)6-3-4-7(9-2)10-6/h3-4H,1-2H3.
What are the key properties of 1-(5-methylsulfanylthiophen-2-yl)ethanone?
1-(5-methylsulfanylthiophen-2-yl)ethanone has a molecular weight of 172.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfanylthiophen-2-yl)ethanone is sourced from PubChem (CID 678410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).