1-methoxy-3-(2-methylsulfanylethoxy)benzene

C10H14O2S — CID 103601143

IUPAC1-methoxy-3-(2-methylsulfanylethoxy)benzene
SMILESCOc1cccc(OCCSC)c1
InChIInChI=1S/C10H14O2S/c1-11-9-4-3-5-10(8-9)12-6-7-13-2/h3-5,8H,6-7H2,1-2H3
InChIKeyUOEXTOAEYIMAMS-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.44
Rot. Bonds5

About 1-methoxy-3-(2-methylsulfanylethoxy)benzene

1-methoxy-3-(2-methylsulfanylethoxy)benzene (PubChem CID 103601143) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylsulfanylethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(2-methylsulfanylethoxy)benzene
PubChem CID103601143
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-methoxy-3-(2-methylsulfanylethoxy)benzene
SMILESCOc1cccc(OCCSC)c1
InChIInChI=1S/C10H14O2S/c1-11-9-4-3-5-10(8-9)12-6-7-13-2/h3-5,8H,6-7H2,1-2H3
InChIKeyUOEXTOAEYIMAMS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
5-[2-(3-methoxyphenoxy)ethylsulfanyl]-3,4-dihydro-2H-pyrrole
CID 30470588
(2S)-2-amino-N-[3-(3-methoxyphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331581
1-methoxy-3-pent-4-enoxybenzene
CID 10750277

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylsulfanylethoxy)benzene?
The IUPAC name of 1-methoxy-3-(2-methylsulfanylethoxy)benzene (CID 103601143) is 1-methoxy-3-(2-methylsulfanylethoxy)benzene.
What is the SMILES notation for 1-methoxy-3-(2-methylsulfanylethoxy)benzene?
The canonical SMILES for 1-methoxy-3-(2-methylsulfanylethoxy)benzene is COc1cccc(OCCSC)c1.
What is the InChIKey of 1-methoxy-3-(2-methylsulfanylethoxy)benzene?
The InChIKey is UOEXTOAEYIMAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-11-9-4-3-5-10(8-9)12-6-7-13-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-methoxy-3-(2-methylsulfanylethoxy)benzene?
1-methoxy-3-(2-methylsulfanylethoxy)benzene has a molecular weight of 198.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylsulfanylethoxy)benzene is sourced from PubChem (CID 103601143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).