4-(cyclobutylmethoxy)benzenethiol

C11H14OS — CID 97179596

IUPAC4-(cyclobutylmethoxy)benzenethiol
SMILESSc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C11H14OS/c13-11-6-4-10(5-7-11)12-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2
InChIKeyJNMBLKURNVVBPT-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.15
Rot. Bonds3

About 4-(cyclobutylmethoxy)benzenethiol

4-(cyclobutylmethoxy)benzenethiol (PubChem CID 97179596) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)benzenethiol.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)benzenethiol
PubChem CID97179596
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4-(cyclobutylmethoxy)benzenethiol
SMILESSc1ccc(OCC2CCC2)cc1
InChIInChI=1S/C11H14OS/c13-11-6-4-10(5-7-11)12-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2
InChIKeyJNMBLKURNVVBPT-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentakis(4-[(4-ethylcyclohexyl)methoxy]benzenethiol);pentahydrofluoride
CID 173376197
1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
CID 121494002
cyclohexylmethoxybenzene
CID 14399287
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
(4-ethylphenoxy)methylcycloheptane
CID 142027305
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
cyclopropylmethoxybenzene
CID 12712156
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117309901

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)benzenethiol?
The IUPAC name of 4-(cyclobutylmethoxy)benzenethiol (CID 97179596) is 4-(cyclobutylmethoxy)benzenethiol.
What is the SMILES notation for 4-(cyclobutylmethoxy)benzenethiol?
The canonical SMILES for 4-(cyclobutylmethoxy)benzenethiol is Sc1ccc(OCC2CCC2)cc1.
What is the InChIKey of 4-(cyclobutylmethoxy)benzenethiol?
The InChIKey is JNMBLKURNVVBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c13-11-6-4-10(5-7-11)12-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2.
What are the key properties of 4-(cyclobutylmethoxy)benzenethiol?
4-(cyclobutylmethoxy)benzenethiol has a molecular weight of 194.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)benzenethiol is sourced from PubChem (CID 97179596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).