2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone

C9H12O2S2 — CID 43801592

IUPAC2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
SMILESCOCCSCC(=O)c1cccs1
InChIInChI=1S/C9H12O2S2/c1-11-4-6-12-7-8(10)9-3-2-5-13-9/h2-3,5H,4,6-7H2,1H3
InChIKeyHQCRFKMAJYLNOS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone

2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone (PubChem CID 43801592) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
PubChem CID43801592
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Name2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
SMILESCOCCSCC(=O)c1cccs1
InChIInChI=1S/C9H12O2S2/c1-11-4-6-12-7-8(10)9-3-2-5-13-9/h2-3,5H,4,6-7H2,1H3
InChIKeyHQCRFKMAJYLNOS-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 63856136
3-(2-oxo-2-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 71162297
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
CID 107752740
2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
CID 21329773
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
1-thiophen-2-ylpropan-1-one
CID 26179
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
CID 134847075
CID 134847075
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone (CID 43801592) is 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone is COCCSCC(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone?
The InChIKey is HQCRFKMAJYLNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c1-11-4-6-12-7-8(10)9-3-2-5-13-9/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone?
2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone has a molecular weight of 216.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).