methoxymethylsulfanylbenzene

C8H10OS — CID 542598

IUPACmethoxymethylsulfanylbenzene
SMILESCOCSc1ccccc1
InChIInChI=1S/C8H10OS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQPXQVNXSQCRWEV-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.38
Rot. Bonds3

About methoxymethylsulfanylbenzene

methoxymethylsulfanylbenzene (PubChem CID 542598) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is methoxymethylsulfanylbenzene.

Molecular Properties

Compound Namemethoxymethylsulfanylbenzene
PubChem CID542598
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Namemethoxymethylsulfanylbenzene
SMILESCOCSc1ccccc1
InChIInChI=1S/C8H10OS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQPXQVNXSQCRWEV-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methoxymethylsulfanylbenzene?
The IUPAC name of methoxymethylsulfanylbenzene (CID 542598) is methoxymethylsulfanylbenzene.
What is the SMILES notation for methoxymethylsulfanylbenzene?
The canonical SMILES for methoxymethylsulfanylbenzene is COCSc1ccccc1.
What is the InChIKey of methoxymethylsulfanylbenzene?
The InChIKey is QPXQVNXSQCRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methoxymethylsulfanylbenzene?
methoxymethylsulfanylbenzene has a molecular weight of 154.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylsulfanylbenzene is sourced from PubChem (CID 542598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).