2-(3,5-dimethylphenyl)sulfanylethanol

C10H14OS — CID 2758638

IUPAC2-(3,5-dimethylphenyl)sulfanylethanol
SMILESCc1cc(C)cc(SCCO)c1
InChIInChI=1S/C10H14OS/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7,11H,3-4H2,1-2H3
InChIKeyXYWRMYBOBPDQHW-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.39
Rot. Bonds3

About 2-(3,5-dimethylphenyl)sulfanylethanol

2-(3,5-dimethylphenyl)sulfanylethanol (PubChem CID 2758638) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)sulfanylethanol
PubChem CID2758638
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(3,5-dimethylphenyl)sulfanylethanol
SMILESCc1cc(C)cc(SCCO)c1
InChIInChI=1S/C10H14OS/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7,11H,3-4H2,1-2H3
InChIKeyXYWRMYBOBPDQHW-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)sulfanylethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)sulfanylethanol (CID 2758638) is 2-(3,5-dimethylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)sulfanylethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)sulfanylethanol is Cc1cc(C)cc(SCCO)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)sulfanylethanol?
The InChIKey is XYWRMYBOBPDQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)sulfanylethanol?
2-(3,5-dimethylphenyl)sulfanylethanol has a molecular weight of 182.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)sulfanylethanol is sourced from PubChem (CID 2758638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).