dimethoxymethylsulfanylbenzene;ethane

C11H18O2S — CID 90710685

IUPACdimethoxymethylsulfanylbenzene;ethane
SMILESCC.COC(OC)Sc1ccccc1
InChIInChI=1S/C9H12O2S.C2H6/c1-10-9(11-2)12-8-6-4-3-5-7-8;1-2/h3-7,9H,1-2H3;1-2H3
InChIKeyWHTRQHQTWHCURU-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.38
Rot. Bonds4

About dimethoxymethylsulfanylbenzene;ethane

dimethoxymethylsulfanylbenzene;ethane (PubChem CID 90710685) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is dimethoxymethylsulfanylbenzene;ethane.

Molecular Properties

Compound Namedimethoxymethylsulfanylbenzene;ethane
PubChem CID90710685
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Namedimethoxymethylsulfanylbenzene;ethane
SMILESCC.COC(OC)Sc1ccccc1
InChIInChI=1S/C9H12O2S.C2H6/c1-10-9(11-2)12-8-6-4-3-5-7-8;1-2/h3-7,9H,1-2H3;1-2H3
InChIKeyWHTRQHQTWHCURU-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.38
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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Related Compounds

4-(dimethoxymethylsulfanyl)pyridine
CID 162523368
(2,2,2-trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
1-methoxy-1-phenylsulfanylpropan-2-one
CID 12617819
methoxymethane;phenylsulfanylbenzene
CID 175087336
ethyl 2-methoxy-2-phenylsulfanylacetate
CID 15710955
methyl 2-fluoro-3-methoxy-3-phenylsulfanylpropanoate
CID 84820303
4-methoxybut-3-en-2-ylsulfanylbenzene
CID 131869014
4-[methoxy(phenylsulfanyl)methyl]-2H-triazole
CID 11665729
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
(5-methoxy-1-phenylsulfanylpentyl)sulfanylbenzene
CID 102321869

Frequently Asked Questions

What is the IUPAC name of dimethoxymethylsulfanylbenzene;ethane?
The IUPAC name of dimethoxymethylsulfanylbenzene;ethane (CID 90710685) is dimethoxymethylsulfanylbenzene;ethane.
What is the SMILES notation for dimethoxymethylsulfanylbenzene;ethane?
The canonical SMILES for dimethoxymethylsulfanylbenzene;ethane is CC.COC(OC)Sc1ccccc1.
What is the InChIKey of dimethoxymethylsulfanylbenzene;ethane?
The InChIKey is WHTRQHQTWHCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S.C2H6/c1-10-9(11-2)12-8-6-4-3-5-7-8;1-2/h3-7,9H,1-2H3;1-2H3.
What are the key properties of dimethoxymethylsulfanylbenzene;ethane?
dimethoxymethylsulfanylbenzene;ethane has a molecular weight of 214.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethylsulfanylbenzene;ethane is sourced from PubChem (CID 90710685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).