2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene

C11H18O3S2 — CID 23050261

IUPAC2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene
SMILESCOC(C)OCOCCSc1sccc1C
InChIInChI=1S/C11H18O3S2/c1-9-4-6-15-11(9)16-7-5-13-8-14-10(2)12-3/h4,6,10H,5,7-8H2,1-3H3
InChIKeyUMRFFFUUOAFVLJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.13
Rot. Bonds8

About 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene

2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene (PubChem CID 23050261) has the molecular formula C11H18O3S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene
PubChem CID23050261
Molecular FormulaC11H18O3S2
Molecular Weight262.40 g/mol
Exact Mass262.07
IUPAC Name2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene
SMILESCOC(C)OCOCCSc1sccc1C
InChIInChI=1S/C11H18O3S2/c1-9-4-6-15-11(9)16-7-5-13-8-14-10(2)12-3/h4,6,10H,5,7-8H2,1-3H3
InChIKeyUMRFFFUUOAFVLJ-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.13
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 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene?
The IUPAC name of 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene (CID 23050261) is 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene.
What is the SMILES notation for 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene?
The canonical SMILES for 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene is COC(C)OCOCCSc1sccc1C.
What is the InChIKey of 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene?
The InChIKey is UMRFFFUUOAFVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S2/c1-9-4-6-15-11(9)16-7-5-13-8-14-10(2)12-3/h4,6,10H,5,7-8H2,1-3H3.
What are the key properties of 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene?
2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene has a molecular weight of 262.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxyethoxymethoxy)ethylsulfanyl]-3-methylthiophene is sourced from PubChem (CID 23050261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).