2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride

C12H15ClF4OS — CID 173469138

IUPAC2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
SMILESCl.F.F.F.F.Sc1ccccc1Oc1ccccc1
InChIInChI=1S/C12H10OS.ClH.4FH/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;;;;;/h1-9,14H;5*1H
InChIKeyOVJSWOUANSJZEB-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.80
Rot. Bonds2

About 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride

2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride (PubChem CID 173469138) has the molecular formula C12H15ClF4OS and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride.

Molecular Properties

Compound Name2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
PubChem CID173469138
Molecular FormulaC12H15ClF4OS
Molecular Weight318.76 g/mol
Exact Mass318.05
IUPAC Name2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
SMILESCl.F.F.F.F.Sc1ccccc1Oc1ccccc1
InChIInChI=1S/C12H10OS.ClH.4FH/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;;;;;/h1-9,14H;5*1H
InChIKeyOVJSWOUANSJZEB-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.80
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

2-thiophen-3-yloxybenzenethiol
CID 175029104
1,4-bis(2-phenoxyphenyl)benzene
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1,2-bis(4-phenylphenoxy)benzene
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1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
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1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene
CID 20560412
azane;1-chloro-2-phenoxybenzene
CID 68980819
1,3-diphenoxy-2-phenylbenzene
CID 88611434
ethane;1-methyl-2-phenoxybenzene
CID 90950955
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
2-(2-phenoxyphenyl)-6-phenylbenzenethiol
CID 19734018

Frequently Asked Questions

What is the IUPAC name of 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride?
The IUPAC name of 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride (CID 173469138) is 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride.
What is the SMILES notation for 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride?
The canonical SMILES for 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride is Cl.F.F.F.F.Sc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride?
The InChIKey is OVJSWOUANSJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS.ClH.4FH/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;;;;;/h1-9,14H;5*1H.
What are the key properties of 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride?
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride has a molecular weight of 318.76 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride is sourced from PubChem (CID 173469138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).