2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene

C17H26O5S2 — CID 10571462

IUPAC2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene
SMILESC=CS(=O)(=O)CCOCCOCCOCCSCc1ccccc1
InChIInChI=1S/C17H26O5S2/c1-2-24(18,19)15-13-22-11-9-20-8-10-21-12-14-23-16-17-6-4-3-5-7-17/h2-7H,1,8-16H2
InChIKeySKIJUGRXCGGMNA-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.53
Rot. Bonds15

About 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene

2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene (PubChem CID 10571462) has the molecular formula C17H26O5S2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene.

Molecular Properties

Compound Name2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene
PubChem CID10571462
Molecular FormulaC17H26O5S2
Molecular Weight374.52 g/mol
Exact Mass374.12
IUPAC Name2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene
SMILESC=CS(=O)(=O)CCOCCOCCOCCSCc1ccccc1
InChIInChI=1S/C17H26O5S2/c1-2-24(18,19)15-13-22-11-9-20-8-10-21-12-14-23-16-17-6-4-3-5-7-17/h2-7H,1,8-16H2
InChIKeySKIJUGRXCGGMNA-UHFFFAOYSA-N
XLogP2.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene?
The IUPAC name of 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene (CID 10571462) is 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene.
What is the SMILES notation for 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene?
The canonical SMILES for 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene is C=CS(=O)(=O)CCOCCOCCOCCSCc1ccccc1.
What is the InChIKey of 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene?
The InChIKey is SKIJUGRXCGGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5S2/c1-2-24(18,19)15-13-22-11-9-20-8-10-21-12-14-23-16-17-6-4-3-5-7-17/h2-7H,1,8-16H2.
What are the key properties of 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene?
2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene has a molecular weight of 374.52 g/mol, XLogP of 2.53, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethenylsulfonylethoxy)ethoxy]ethoxy]ethylsulfanylmethylbenzene is sourced from PubChem (CID 10571462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).