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

C13H14OS2 — CID 66086004

IUPAC2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
SMILESCc1cccc(SCC(O)c2ccsc2)c1
InChIInChI=1S/C13H14OS2/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-8,13-14H,9H2,1H3
InChIKeyNZWBXRVDPNVEEF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.88
Rot. Bonds4

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

2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol (PubChem CID 66086004) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
PubChem CID66086004
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
SMILESCc1cccc(SCC(O)c2ccsc2)c1
InChIInChI=1S/C13H14OS2/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-8,13-14H,9H2,1H3
InChIKeyNZWBXRVDPNVEEF-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-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol (CID 66086004) is 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol is Cc1cccc(SCC(O)c2ccsc2)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
The InChIKey is NZWBXRVDPNVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS2/c1-10-3-2-4-12(7-10)16-9-13(14)11-5-6-15-8-11/h2-8,13-14H,9H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol?
2-(3-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-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol is sourced from PubChem (CID 66086004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).