2-(ethylsulfanylmethyl)-5-methylphenol

C10H14OS — CID 14452460

IUPAC2-(ethylsulfanylmethyl)-5-methylphenol
SMILESCCSCc1ccc(C)cc1O
InChIInChI=1S/C10H14OS/c1-3-12-7-9-5-4-8(2)6-10(9)11/h4-6,11H,3,7H2,1-2H3
InChIKeyYZYLSZOFAMJQAG-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-5-methylphenol

2-(ethylsulfanylmethyl)-5-methylphenol (PubChem CID 14452460) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-5-methylphenol.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-5-methylphenol
PubChem CID14452460
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(ethylsulfanylmethyl)-5-methylphenol
SMILESCCSCc1ccc(C)cc1O
InChIInChI=1S/C10H14OS/c1-3-12-7-9-5-4-8(2)6-10(9)11/h4-6,11H,3,7H2,1-2H3
InChIKeyYZYLSZOFAMJQAG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethylsulfanylmethyl)-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethyl-5-methylphenol
CID 142001660
(2-hydroxy-4-methylphenyl)methylboronic acid
CID 57416355
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
3-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185621
(2-fluoro-5-methylphenyl)methylsulfanylmethanol
CID 174380903
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679
4-(ethylsulfanylmethyl)-3-methylbenzonitrile
CID 114483972
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-5-methylphenol?
The IUPAC name of 2-(ethylsulfanylmethyl)-5-methylphenol (CID 14452460) is 2-(ethylsulfanylmethyl)-5-methylphenol.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-5-methylphenol?
The canonical SMILES for 2-(ethylsulfanylmethyl)-5-methylphenol is CCSCc1ccc(C)cc1O.
What is the InChIKey of 2-(ethylsulfanylmethyl)-5-methylphenol?
The InChIKey is YZYLSZOFAMJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-12-7-9-5-4-8(2)6-10(9)11/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 2-(ethylsulfanylmethyl)-5-methylphenol?
2-(ethylsulfanylmethyl)-5-methylphenol has a molecular weight of 182.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-5-methylphenol is sourced from PubChem (CID 14452460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).