3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene

C12H20O3S2 — CID 14700383

IUPAC3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene
SMILESCCC(OCOCCOC)c1ccsc1SC
InChIInChI=1S/C12H20O3S2/c1-4-11(15-9-14-7-6-13-2)10-5-8-17-12(10)16-3/h5,8,11H,4,6-7,9H2,1-3H3
InChIKeyGEDUPHMSNDSAGS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.56
Rot. Bonds9

About 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene

3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene (PubChem CID 14700383) has the molecular formula C12H20O3S2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene.

Molecular Properties

Compound Name3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene
PubChem CID14700383
Molecular FormulaC12H20O3S2
Molecular Weight276.42 g/mol
Exact Mass276.09
IUPAC Name3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene
SMILESCCC(OCOCCOC)c1ccsc1SC
InChIInChI=1S/C12H20O3S2/c1-4-11(15-9-14-7-6-13-2)10-5-8-17-12(10)16-3/h5,8,11H,4,6-7,9H2,1-3H3
InChIKeyGEDUPHMSNDSAGS-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene?
The IUPAC name of 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene (CID 14700383) is 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene.
What is the SMILES notation for 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene?
The canonical SMILES for 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene is CCC(OCOCCOC)c1ccsc1SC.
What is the InChIKey of 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene?
The InChIKey is GEDUPHMSNDSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S2/c1-4-11(15-9-14-7-6-13-2)10-5-8-17-12(10)16-3/h5,8,11H,4,6-7,9H2,1-3H3.
What are the key properties of 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene?
3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene has a molecular weight of 276.42 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethoxymethoxy)propyl]-2-methylsulfanylthiophene is sourced from PubChem (CID 14700383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).