1-(ethoxymethyl)-2-methylsulfanylbenzene

C10H14OS — CID 91470135

IUPAC1-(ethoxymethyl)-2-methylsulfanylbenzene
SMILESCCOCc1ccccc1SC
InChIInChI=1S/C10H14OS/c1-3-11-8-9-6-4-5-7-10(9)12-2/h4-7H,3,8H2,1-2H3
InChIKeyTWUGZWKHHPOZSY-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.94
Rot. Bonds4

About 1-(ethoxymethyl)-2-methylsulfanylbenzene

1-(ethoxymethyl)-2-methylsulfanylbenzene (PubChem CID 91470135) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-methylsulfanylbenzene
PubChem CID91470135
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(ethoxymethyl)-2-methylsulfanylbenzene
SMILESCCOCc1ccccc1SC
InChIInChI=1S/C10H14OS/c1-3-11-8-9-6-4-5-7-10(9)12-2/h4-7H,3,8H2,1-2H3
InChIKeyTWUGZWKHHPOZSY-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole
CID 70248146
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 60753165
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
1-methylsulfanyl-2-prop-2-ynylbenzene
CID 19849500
(213C)ethoxymethylbenzene
CID 87947851
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
CID 170234353
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-methylsulfanylbenzene?
The IUPAC name of 1-(ethoxymethyl)-2-methylsulfanylbenzene (CID 91470135) is 1-(ethoxymethyl)-2-methylsulfanylbenzene.
What is the SMILES notation for 1-(ethoxymethyl)-2-methylsulfanylbenzene?
The canonical SMILES for 1-(ethoxymethyl)-2-methylsulfanylbenzene is CCOCc1ccccc1SC.
What is the InChIKey of 1-(ethoxymethyl)-2-methylsulfanylbenzene?
The InChIKey is TWUGZWKHHPOZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-11-8-9-6-4-5-7-10(9)12-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2-methylsulfanylbenzene?
1-(ethoxymethyl)-2-methylsulfanylbenzene has a molecular weight of 182.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-methylsulfanylbenzene is sourced from PubChem (CID 91470135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).