2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane

C17H20O2S2 — CID 54432841

IUPAC2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
SMILESCSc1ccc(-c2sccc2COC2CCCCO2)cc1
InChIInChI=1S/C17H20O2S2/c1-20-15-7-5-13(6-8-15)17-14(9-11-21-17)12-19-16-4-2-3-10-18-16/h5-9,11,16H,2-4,10,12H2,1H3
InChIKeyWISAPAAEUQTQMS-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.18
Rot. Bonds5

About 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane

2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane (PubChem CID 54432841) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane.

Molecular Properties

Compound Name2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
PubChem CID54432841
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
SMILESCSc1ccc(-c2sccc2COC2CCCCO2)cc1
InChIInChI=1S/C17H20O2S2/c1-20-15-7-5-13(6-8-15)17-14(9-11-21-17)12-19-16-4-2-3-10-18-16/h5-9,11,16H,2-4,10,12H2,1H3
InChIKeyWISAPAAEUQTQMS-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
CID 148635999
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane?
The IUPAC name of 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane (CID 54432841) is 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane.
What is the SMILES notation for 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane?
The canonical SMILES for 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane is CSc1ccc(-c2sccc2COC2CCCCO2)cc1.
What is the InChIKey of 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane?
The InChIKey is WISAPAAEUQTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-20-15-7-5-13(6-8-15)17-14(9-11-21-17)12-19-16-4-2-3-10-18-16/h5-9,11,16H,2-4,10,12H2,1H3.
What are the key properties of 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane?
2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane has a molecular weight of 320.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane is sourced from PubChem (CID 54432841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).