2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide

C12H14O3S — CID 117185305

IUPAC2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide
SMILESCCOCC1=Cc2cc(C)ccc2S1(=O)=O
InChIInChI=1S/C12H14O3S/c1-3-15-8-11-7-10-6-9(2)4-5-12(10)16(11,13)14/h4-7H,3,8H2,1-2H3
InChIKeyLHZOZZGTQPAUTR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds3

About 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide

2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide (PubChem CID 117185305) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide
PubChem CID117185305
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide
SMILESCCOCC1=Cc2cc(C)ccc2S1(=O)=O
InChIInChI=1S/C12H14O3S/c1-3-15-8-11-7-10-6-9(2)4-5-12(10)16(11,13)14/h4-7H,3,8H2,1-2H3
InChIKeyLHZOZZGTQPAUTR-UHFFFAOYSA-N
XLogP2.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethoxymethyl)-1,1-dioxo-1-benzothiophen-6-yl]methanamine
CID 117179510
5-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117176178
7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117183095
1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117121293
2-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117179595
(5-chloro-1,1-dioxo-1-benzothiophen-2-yl)methanol
CID 117121311
2-(2-aminoethyl)-1,1-dioxo-1-benzothiophen-5-ol
CID 117121394
O-[(1,1-dioxo-1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194302
6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117179625
1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine
CID 117176113
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
3-(5-methoxy-1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117121401

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide (CID 117185305) is 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide is CCOCC1=Cc2cc(C)ccc2S1(=O)=O.
What is the InChIKey of 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide?
The InChIKey is LHZOZZGTQPAUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-3-15-8-11-7-10-6-9(2)4-5-12(10)16(11,13)14/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide?
2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117185305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).