2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol

C14H16OS2 — CID 66097358

IUPAC2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
SMILESCc1cc(C(O)CSc2ccccc2C)cs1
InChIInChI=1S/C14H16OS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-11(2)16-8-12/h3-8,13,15H,9H2,1-2H3
InChIKeyDOXOTVNFMKLIHO-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol

2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol (PubChem CID 66097358) has the molecular formula C14H16OS2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
PubChem CID66097358
Molecular FormulaC14H16OS2
Molecular Weight264.41 g/mol
Exact Mass264.06
IUPAC Name2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
SMILESCc1cc(C(O)CSc2ccccc2C)cs1
InChIInChI=1S/C14H16OS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-11(2)16-8-12/h3-8,13,15H,9H2,1-2H3
InChIKeyDOXOTVNFMKLIHO-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 ≤ 500264.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-3-yl)-2-phenylethanol
CID 65100081
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
CID 81210035
[1-(5-methylthiophen-3-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228237
3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 115345999
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
CID 122222813
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol (CID 66097358) is 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol is Cc1cc(C(O)CSc2ccccc2C)cs1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol?
The InChIKey is DOXOTVNFMKLIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-11(2)16-8-12/h3-8,13,15H,9H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol?
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol has a molecular weight of 264.41 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-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 66097358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).