4-chlorobenzenethiol;trihydrofluoride

C6H8ClF3S — CID 173023078

IUPAC4-chlorobenzenethiol;trihydrofluoride
SMILESF.F.F.Sc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClS.3FH/c7-5-1-3-6(8)4-2-5;;;/h1-4,8H;3*1H
InChIKeyAVGYAIXZGAVJBT-UHFFFAOYSA-N
MW204.64 g/mol
LogP3.09
Rot. Bonds

About 4-chlorobenzenethiol;trihydrofluoride

4-chlorobenzenethiol;trihydrofluoride (PubChem CID 173023078) has the molecular formula C6H8ClF3S and a molecular weight of 204.64 g/mol. Its IUPAC name is 4-chlorobenzenethiol;trihydrofluoride.

Molecular Properties

Compound Name4-chlorobenzenethiol;trihydrofluoride
PubChem CID173023078
Molecular FormulaC6H8ClF3S
Molecular Weight204.64 g/mol
Exact Mass204.00
IUPAC Name4-chlorobenzenethiol;trihydrofluoride
SMILESF.F.F.Sc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClS.3FH/c7-5-1-3-6(8)4-2-5;;;/h1-4,8H;3*1H
InChIKeyAVGYAIXZGAVJBT-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bismuthane;4-chlorobenzenethiol
CID 173174465
zinc 4-chlorobenzenethiol
CID 22352029
4-chlorobenzenethiol;fluoroform
CID 174810562
benzenethiol;chlorobenzene
CID 158473676
azane;1,4-dichlorobenzene
CID 69330361
4-[3-(4-chlorophenyl)-2-methylthiazet-4-yl]benzenethiol
CID 143047214
1,4-dichlorobenzene;formonitrile
CID 174444870
1,4-dichlorobenzene;trichloroalumane
CID 174756083
bis(4-chlorophenyl)azanium
CID 23412532
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
(4-chlorophenyl)methylphosphane
CID 21076076
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzenethiol;trihydrofluoride?
The IUPAC name of 4-chlorobenzenethiol;trihydrofluoride (CID 173023078) is 4-chlorobenzenethiol;trihydrofluoride.
What is the SMILES notation for 4-chlorobenzenethiol;trihydrofluoride?
The canonical SMILES for 4-chlorobenzenethiol;trihydrofluoride is F.F.F.Sc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzenethiol;trihydrofluoride?
The InChIKey is AVGYAIXZGAVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS.3FH/c7-5-1-3-6(8)4-2-5;;;/h1-4,8H;3*1H.
What are the key properties of 4-chlorobenzenethiol;trihydrofluoride?
4-chlorobenzenethiol;trihydrofluoride has a molecular weight of 204.64 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzenethiol;trihydrofluoride is sourced from PubChem (CID 173023078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).