2,2-dimethoxyethylsulfanylbenzene

C10H14O2S — CID 10584119

IUPAC2,2-dimethoxyethylsulfanylbenzene
SMILESCOC(CSc1ccccc1)OC
InChIInChI=1S/C10H14O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyUDZBKUHTILSBLV-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.40
Rot. Bonds5

About 2,2-dimethoxyethylsulfanylbenzene

2,2-dimethoxyethylsulfanylbenzene (PubChem CID 10584119) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2,2-dimethoxyethylsulfanylbenzene.

Molecular Properties

Compound Name2,2-dimethoxyethylsulfanylbenzene
PubChem CID10584119
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2,2-dimethoxyethylsulfanylbenzene
SMILESCOC(CSc1ccccc1)OC
InChIInChI=1S/C10H14O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyUDZBKUHTILSBLV-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethoxyethylsulfanylbenzene?
The IUPAC name of 2,2-dimethoxyethylsulfanylbenzene (CID 10584119) is 2,2-dimethoxyethylsulfanylbenzene.
What is the SMILES notation for 2,2-dimethoxyethylsulfanylbenzene?
The canonical SMILES for 2,2-dimethoxyethylsulfanylbenzene is COC(CSc1ccccc1)OC.
What is the InChIKey of 2,2-dimethoxyethylsulfanylbenzene?
The InChIKey is UDZBKUHTILSBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 2,2-dimethoxyethylsulfanylbenzene?
2,2-dimethoxyethylsulfanylbenzene has a molecular weight of 198.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethylsulfanylbenzene is sourced from PubChem (CID 10584119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).