2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol

C13H14OS2 — CID 66065568

IUPAC2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
SMILESCc1ccc(SCC(O)c2ccsc2)cc1
InChIInChI=1S/C13H14OS2/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13-14H,9H2,1H3
InChIKeySLEWIIGJHYGTAV-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol

2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol (PubChem CID 66065568) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
PubChem CID66065568
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
SMILESCc1ccc(SCC(O)c2ccsc2)cc1
InChIInChI=1S/C13H14OS2/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13-14H,9H2,1H3
InChIKeySLEWIIGJHYGTAV-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981309
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
CID 155719025
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
CID 105102674
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-thiophen-3-ylethanol
CID 103910907
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol (CID 66065568) is 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol is Cc1ccc(SCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The InChIKey is SLEWIIGJHYGTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS2/c1-10-2-4-12(5-3-10)16-9-13(14)11-6-7-15-8-11/h2-8,13-14H,9H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol has a molecular weight of 250.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol is sourced from PubChem (CID 66065568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).