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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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).