2-(1-methoxyethoxymethylselanyl)thiophene

C8H12O2SSe — CID 20721868

IUPAC2-(1-methoxyethoxymethylselanyl)thiophene
SMILESCOC(C)OC[Se]c1cccs1
InChIInChI=1S/C8H12O2SSe/c1-7(9-2)10-6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyCLCWNUKPPQBEAT-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.04
Rot. Bonds5

About 2-(1-methoxyethoxymethylselanyl)thiophene

2-(1-methoxyethoxymethylselanyl)thiophene (PubChem CID 20721868) has the molecular formula C8H12O2SSe and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(1-methoxyethoxymethylselanyl)thiophene.

Molecular Properties

Compound Name2-(1-methoxyethoxymethylselanyl)thiophene
PubChem CID20721868
Molecular FormulaC8H12O2SSe
Molecular Weight251.21 g/mol
Exact Mass251.97
IUPAC Name2-(1-methoxyethoxymethylselanyl)thiophene
SMILESCOC(C)OC[Se]c1cccs1
InChIInChI=1S/C8H12O2SSe/c1-7(9-2)10-6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyCLCWNUKPPQBEAT-UHFFFAOYSA-N
XLogP1.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2-Diethoxyethyl)sulfanyl]thiophene
CID 44208697
Ethyl 2-(thiophen-3-ylselanyl)acetate
CID 13099964
Diethoxymethyl-3-thienylmercaptide
CID 129786468
Diethoxy(2-thienyl)germane
CID 129791018
Bis-(2,2-dimethoxyethylthio)thiophene
CID 129803883
2-(1-Methoxyethoxymethylsulfanyl)thiophene
CID 20721872
2-(1-Methoxyethoxymethylsulfonyl)thiophene
CID 20721876
2-[2-(1-Methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene
CID 23050261
Thiophene,2-[(2,2-dimethoxyethyl)thio]-
CID 23070270
Ethoxyethane;thiophene
CID 66749315
1,1-Diethoxyethane;thiophene
CID 69323416
3-(2,2-Dimethoxyethylselanyl)thiophene
CID 87280129

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxymethylselanyl)thiophene?
The IUPAC name of 2-(1-methoxyethoxymethylselanyl)thiophene (CID 20721868) is 2-(1-methoxyethoxymethylselanyl)thiophene.
What is the SMILES notation for 2-(1-methoxyethoxymethylselanyl)thiophene?
The canonical SMILES for 2-(1-methoxyethoxymethylselanyl)thiophene is COC(C)OC[Se]c1cccs1.
What is the InChIKey of 2-(1-methoxyethoxymethylselanyl)thiophene?
The InChIKey is CLCWNUKPPQBEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2SSe/c1-7(9-2)10-6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxymethylselanyl)thiophene?
2-(1-methoxyethoxymethylselanyl)thiophene has a molecular weight of 251.21 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxymethylselanyl)thiophene is sourced from PubChem (CID 20721868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).