ethane;4-(2-methylsulfanylethyl)phenol

C11H18OS — CID 154657371

IUPACethane;4-(2-methylsulfanylethyl)phenol
SMILESCC.CSCCc1ccc(O)cc1
InChIInChI=1S/C9H12OS.C2H6/c1-11-7-6-8-2-4-9(10)5-3-8;1-2/h2-5,10H,6-7H2,1H3;1-2H3
InChIKeyBEJXEIWPFINLKZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.32
Rot. Bonds3

About ethane;4-(2-methylsulfanylethyl)phenol

ethane;4-(2-methylsulfanylethyl)phenol (PubChem CID 154657371) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is ethane;4-(2-methylsulfanylethyl)phenol.

Molecular Properties

Compound Nameethane;4-(2-methylsulfanylethyl)phenol
PubChem CID154657371
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Nameethane;4-(2-methylsulfanylethyl)phenol
SMILESCC.CSCCc1ccc(O)cc1
InChIInChI=1S/C9H12OS.C2H6/c1-11-7-6-8-2-4-9(10)5-3-8;1-2/h2-5,10H,6-7H2,1H3;1-2H3
InChIKeyBEJXEIWPFINLKZ-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-(2-methylsulfanylethyl)phenol 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

4-[2-(4-methylsulfanylbutylamino)ethyl]phenol
CID 103087893
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
S-[2-(4-hydroxyphenyl)ethyl] ethanethioate
CID 167527713
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-(2-methylsulfanylethyl)benzaldehyde
CID 174646405
4-(2-benzylsulfanylethyl)phenol
CID 160730782
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
1-tert-butyl-4-[1-[4-(2-methylsulfanylethyl)phenyl]ethenyl]benzene
CID 144998088
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
ethane;4-(phosphanylmethyl)phenol
CID 144577973
2-(4-hydroxyphenyl)ethylazanium
CID 5249538

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylsulfanylethyl)phenol?
The IUPAC name of ethane;4-(2-methylsulfanylethyl)phenol (CID 154657371) is ethane;4-(2-methylsulfanylethyl)phenol.
What is the SMILES notation for ethane;4-(2-methylsulfanylethyl)phenol?
The canonical SMILES for ethane;4-(2-methylsulfanylethyl)phenol is CC.CSCCc1ccc(O)cc1.
What is the InChIKey of ethane;4-(2-methylsulfanylethyl)phenol?
The InChIKey is BEJXEIWPFINLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS.C2H6/c1-11-7-6-8-2-4-9(10)5-3-8;1-2/h2-5,10H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-(2-methylsulfanylethyl)phenol?
ethane;4-(2-methylsulfanylethyl)phenol has a molecular weight of 198.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylsulfanylethyl)phenol is sourced from PubChem (CID 154657371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).