methoxymethoxysulfanylbenzene

C8H10O2S — CID 15145910

IUPACmethoxymethoxysulfanylbenzene
SMILESCOCOSc1ccccc1
InChIInChI=1S/C8H10O2S/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAOCSTQKMNKVYRE-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.31
Rot. Bonds4

About methoxymethoxysulfanylbenzene

methoxymethoxysulfanylbenzene (PubChem CID 15145910) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is methoxymethoxysulfanylbenzene.

Molecular Properties

Compound Namemethoxymethoxysulfanylbenzene
PubChem CID15145910
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Namemethoxymethoxysulfanylbenzene
SMILESCOCOSc1ccccc1
InChIInChI=1S/C8H10O2S/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAOCSTQKMNKVYRE-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethoxysulfanylbenzene?
The IUPAC name of methoxymethoxysulfanylbenzene (CID 15145910) is methoxymethoxysulfanylbenzene.
What is the SMILES notation for methoxymethoxysulfanylbenzene?
The canonical SMILES for methoxymethoxysulfanylbenzene is COCOSc1ccccc1.
What is the InChIKey of methoxymethoxysulfanylbenzene?
The InChIKey is AOCSTQKMNKVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methoxymethoxysulfanylbenzene?
methoxymethoxysulfanylbenzene has a molecular weight of 170.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxysulfanylbenzene is sourced from PubChem (CID 15145910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).