2-(3-propan-2-ylphenoxy)ethanethiol

C11H16OS — CID 21131503

IUPAC2-(3-propan-2-ylphenoxy)ethanethiol
SMILESCC(C)c1cccc(OCCS)c1
InChIInChI=1S/C11H16OS/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyOAENKRJUXNPULW-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-propan-2-ylphenoxy)ethanethiol

2-(3-propan-2-ylphenoxy)ethanethiol (PubChem CID 21131503) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)ethanethiol.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)ethanethiol
PubChem CID21131503
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-(3-propan-2-ylphenoxy)ethanethiol
SMILESCC(C)c1cccc(OCCS)c1
InChIInChI=1S/C11H16OS/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyOAENKRJUXNPULW-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(3-propan-2-ylphenoxy)ethanethiol 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-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
tert-butyl-[2-(3-propan-2-ylphenoxy)ethyl]azanium
CID 2263110
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)ethanethiol?
The IUPAC name of 2-(3-propan-2-ylphenoxy)ethanethiol (CID 21131503) is 2-(3-propan-2-ylphenoxy)ethanethiol.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)ethanethiol?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)ethanethiol is CC(C)c1cccc(OCCS)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)ethanethiol?
The InChIKey is OAENKRJUXNPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)ethanethiol?
2-(3-propan-2-ylphenoxy)ethanethiol has a molecular weight of 196.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)ethanethiol is sourced from PubChem (CID 21131503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).