2-(ethylsulfanylmethyl)phenol

C9H12OS — CID 522167

IUPAC2-(ethylsulfanylmethyl)phenol
SMILESCCSCc1ccccc1O
InChIInChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
InChIKeyQZBBPVLBIUUYRH-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.65
Rot. Bonds3

About 2-(ethylsulfanylmethyl)phenol

2-(ethylsulfanylmethyl)phenol (PubChem CID 522167) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)phenol
PubChem CID522167
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-(ethylsulfanylmethyl)phenol
SMILESCCSCc1ccccc1O
InChIInChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
InChIKeyQZBBPVLBIUUYRH-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)phenol?
The IUPAC name of 2-(ethylsulfanylmethyl)phenol (CID 522167) is 2-(ethylsulfanylmethyl)phenol.
What is the SMILES notation for 2-(ethylsulfanylmethyl)phenol?
The canonical SMILES for 2-(ethylsulfanylmethyl)phenol is CCSCc1ccccc1O.
What is the InChIKey of 2-(ethylsulfanylmethyl)phenol?
The InChIKey is QZBBPVLBIUUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)phenol?
2-(ethylsulfanylmethyl)phenol has a molecular weight of 168.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)phenol is sourced from PubChem (CID 522167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).