2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone

C13H12O3S2 — CID 64635705

IUPAC2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
SMILESCOc1ccccc1S(=O)CC(=O)c1cccs1
InChIInChI=1S/C13H12O3S2/c1-16-11-5-2-3-7-13(11)18(15)9-10(14)12-6-4-8-17-12/h2-8H,9H2,1H3
InChIKeyMKGPTZZQXVKZQQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone

2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone (PubChem CID 64635705) has the molecular formula C13H12O3S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
PubChem CID64635705
Molecular FormulaC13H12O3S2
Molecular Weight280.37 g/mol
Exact Mass280.02
IUPAC Name2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
SMILESCOc1ccccc1S(=O)CC(=O)c1cccs1
InChIInChI=1S/C13H12O3S2/c1-16-11-5-2-3-7-13(11)18(15)9-10(14)12-6-4-8-17-12/h2-8H,9H2,1H3
InChIKeyMKGPTZZQXVKZQQ-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
CID 64636460
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
1-thiophen-2-ylpropan-1-one
CID 26179
2,3-dimethoxythiophene;dithiophen-2-ylmethanone
CID 21434714
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83162814

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone (CID 64635705) is 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone is COc1ccccc1S(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone?
The InChIKey is MKGPTZZQXVKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S2/c1-16-11-5-2-3-7-13(11)18(15)9-10(14)12-6-4-8-17-12/h2-8H,9H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone?
2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone has a molecular weight of 280.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 64635705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).