2-ethylsulfanyl-1-phenylethanol

C10H14OS — CID 15899024

IUPAC2-ethylsulfanyl-1-phenylethanol
SMILESCCSCC(O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyOSPWXKHCRSLNJG-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.47
Rot. Bonds4

About 2-ethylsulfanyl-1-phenylethanol

2-ethylsulfanyl-1-phenylethanol (PubChem CID 15899024) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-phenylethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-phenylethanol
PubChem CID15899024
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-ethylsulfanyl-1-phenylethanol
SMILESCCSCC(O)c1ccccc1
InChIInChI=1S/C10H14OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyOSPWXKHCRSLNJG-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-phenylethanol?
The IUPAC name of 2-ethylsulfanyl-1-phenylethanol (CID 15899024) is 2-ethylsulfanyl-1-phenylethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-phenylethanol?
The canonical SMILES for 2-ethylsulfanyl-1-phenylethanol is CCSCC(O)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-1-phenylethanol?
The InChIKey is OSPWXKHCRSLNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-phenylethanol?
2-ethylsulfanyl-1-phenylethanol has a molecular weight of 182.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-phenylethanol is sourced from PubChem (CID 15899024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).