2-(2,3,4-trimethylphenyl)sulfanylethanol

C11H16OS — CID 116852718

IUPAC2-(2,3,4-trimethylphenyl)sulfanylethanol
SMILESCc1ccc(SCCO)c(C)c1C
InChIInChI=1S/C11H16OS/c1-8-4-5-11(13-7-6-12)10(3)9(8)2/h4-5,12H,6-7H2,1-3H3
InChIKeyGCYJSOIDAPFSBP-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,3,4-trimethylphenyl)sulfanylethanol

2-(2,3,4-trimethylphenyl)sulfanylethanol (PubChem CID 116852718) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-(2,3,4-trimethylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2,3,4-trimethylphenyl)sulfanylethanol
PubChem CID116852718
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-(2,3,4-trimethylphenyl)sulfanylethanol
SMILESCc1ccc(SCCO)c(C)c1C
InChIInChI=1S/C11H16OS/c1-8-4-5-11(13-7-6-12)10(3)9(8)2/h4-5,12H,6-7H2,1-3H3
InChIKeyGCYJSOIDAPFSBP-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-2-nitrosophenyl)sulfanylethanol
CID 163988045
2-(4-methyl-2-nitrophenyl)sulfanylethanol
CID 43446267
1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfanyloxysulfanylbenzene
CID 174547072
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane
CID 141141610
3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
CID 66112702
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol
CID 130589850
2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]ethanol
CID 116852715
2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 54185176
2-(2-iodophenyl)sulfanylethanol
CID 131862769
2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol
CID 139950677
ethanol;2,3,4-trimethylphenol
CID 162191958

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethylphenyl)sulfanylethanol?
The IUPAC name of 2-(2,3,4-trimethylphenyl)sulfanylethanol (CID 116852718) is 2-(2,3,4-trimethylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(2,3,4-trimethylphenyl)sulfanylethanol?
The canonical SMILES for 2-(2,3,4-trimethylphenyl)sulfanylethanol is Cc1ccc(SCCO)c(C)c1C.
What is the InChIKey of 2-(2,3,4-trimethylphenyl)sulfanylethanol?
The InChIKey is GCYJSOIDAPFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-4-5-11(13-7-6-12)10(3)9(8)2/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethylphenyl)sulfanylethanol?
2-(2,3,4-trimethylphenyl)sulfanylethanol has a molecular weight of 196.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylphenyl)sulfanylethanol is sourced from PubChem (CID 116852718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).