2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol

C14H16OS2 — CID 102831390

IUPAC2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1cccc(SCC(O)c2ccsc2C)c1
InChIInChI=1S/C14H16OS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14-15H,9H2,1-2H3
InChIKeyHKWUCMQVYRMIHG-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.19
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol

2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol (PubChem CID 102831390) has the molecular formula C14H16OS2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
PubChem CID102831390
Molecular FormulaC14H16OS2
Molecular Weight264.42 g/mol
Exact Mass264.06
IUPAC Name2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1cccc(SCC(O)c2ccsc2C)c1
InChIInChI=1S/C14H16OS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14-15H,9H2,1-2H3
InChIKeyHKWUCMQVYRMIHG-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol
CID 81209921
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol (CID 102831390) is 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol is Cc1cccc(SCC(O)c2ccsc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol?
The InChIKey is HKWUCMQVYRMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol?
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol has a molecular weight of 264.42 g/mol, XLogP of 4.19, 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-(2-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 102831390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).