1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone

C14H14O3S2 — CID 64640483

IUPAC1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)c1cccs1
InChIInChI=1S/C14H14O3S2/c1-10-5-6-11(13(8-10)17-2)12(15)9-19(16)14-4-3-7-18-14/h3-8H,9H2,1-2H3
InChIKeyARYHPZQBIKOFDU-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone

1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone (PubChem CID 64640483) has the molecular formula C14H14O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
PubChem CID64640483
Molecular FormulaC14H14O3S2
Molecular Weight294.40 g/mol
Exact Mass294.04
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)c1cccs1
InChIInChI=1S/C14H14O3S2/c1-10-5-6-11(13(8-10)17-2)12(15)9-19(16)14-4-3-7-18-14/h3-8H,9H2,1-2H3
InChIKeyARYHPZQBIKOFDU-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
CID 43801932
1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
CID 64640088
2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64640336
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64652177
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone (CID 64640483) is 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone is COc1cc(C)ccc1C(=O)CS(=O)c1cccs1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone?
The InChIKey is ARYHPZQBIKOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S2/c1-10-5-6-11(13(8-10)17-2)12(15)9-19(16)14-4-3-7-18-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone?
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone has a molecular weight of 294.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone is sourced from PubChem (CID 64640483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).