2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone

C14H14O2S2 — CID 64639257

IUPAC2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)Cc2ccccc2)s1
InChIInChI=1S/C14H14O2S2/c1-11-7-8-14(17-11)13(15)10-18(16)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyCQNSZHYZOMDJGF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds5

About 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone

2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64639257) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64639257
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)Cc2ccccc2)s1
InChIInChI=1S/C14H14O2S2/c1-11-7-8-14(17-11)13(15)10-18(16)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyCQNSZHYZOMDJGF-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfinyl-1-(5-methylthiophen-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 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone (CID 64639257) is 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CS(=O)Cc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is CQNSZHYZOMDJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-11-7-8-14(17-11)13(15)10-18(16)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone?
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64639257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).