2-(2,2-dimethoxyethylsulfanyl)thiophene

C8H12O2S2 — CID 23070270

IUPAC2-(2,2-dimethoxyethylsulfanyl)thiophene
SMILESCOC(CSc1cccs1)OC
InChIInChI=1S/C8H12O2S2/c1-9-7(10-2)6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyLWQLFTOXXXEGAY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.46
Rot. Bonds5

About 2-(2,2-dimethoxyethylsulfanyl)thiophene

2-(2,2-dimethoxyethylsulfanyl)thiophene (PubChem CID 23070270) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfanyl)thiophene
PubChem CID23070270
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name2-(2,2-dimethoxyethylsulfanyl)thiophene
SMILESCOC(CSc1cccs1)OC
InChIInChI=1S/C8H12O2S2/c1-9-7(10-2)6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyLWQLFTOXXXEGAY-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)thiophene?
The IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)thiophene (CID 23070270) is 2-(2,2-dimethoxyethylsulfanyl)thiophene.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfanyl)thiophene?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfanyl)thiophene is COC(CSc1cccs1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfanyl)thiophene?
The InChIKey is LWQLFTOXXXEGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-9-7(10-2)6-12-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfanyl)thiophene?
2-(2,2-dimethoxyethylsulfanyl)thiophene has a molecular weight of 204.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfanyl)thiophene is sourced from PubChem (CID 23070270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).