sodium;4-fluorobenzenethiol;hydride

C6H6FNaS — CID 173161552

IUPACsodium;4-fluorobenzenethiol;hydride
SMILESFc1ccc(S)cc1.[H-].[Na+]
InChIInChI=1S/C6H5FS.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;;/q;+1;-1
InChIKeyOBNYJUKJAROZQC-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.77
Rot. Bonds

About sodium;4-fluorobenzenethiol;hydride

sodium;4-fluorobenzenethiol;hydride (PubChem CID 173161552) has the molecular formula C6H6FNaS and a molecular weight of 152.17 g/mol. Its IUPAC name is sodium;4-fluorobenzenethiol;hydride.

Molecular Properties

Compound Namesodium;4-fluorobenzenethiol;hydride
PubChem CID173161552
Molecular FormulaC6H6FNaS
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Namesodium;4-fluorobenzenethiol;hydride
SMILESFc1ccc(S)cc1.[H-].[Na+]
InChIInChI=1S/C6H5FS.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;;/q;+1;-1
InChIKeyOBNYJUKJAROZQC-UHFFFAOYSA-N
XLogP-0.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.77
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

4-fluorobenzenethiol
CID 158914451
1,4-difluorobenzene bromide
CID 21301175
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
CID 174478426
CID 174478426
(4-fluorophenyl)mercury(1+) hydroxide
CID 22762131
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane
CID 139653647
benzenethiol;1,2,4-trifluorobenzene
CID 160881471
4-[2-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]phenyl]ethynyl]benzenethiol
CID 86042724
lithium;4-fluoroaniline;hydride
CID 173323574
1,4-difluorobenzene;trichloroalumane
CID 174965184

Frequently Asked Questions

What is the IUPAC name of sodium;4-fluorobenzenethiol;hydride?
The IUPAC name of sodium;4-fluorobenzenethiol;hydride (CID 173161552) is sodium;4-fluorobenzenethiol;hydride.
What is the SMILES notation for sodium;4-fluorobenzenethiol;hydride?
The canonical SMILES for sodium;4-fluorobenzenethiol;hydride is Fc1ccc(S)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-fluorobenzenethiol;hydride?
The InChIKey is OBNYJUKJAROZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FS.Na.H/c7-5-1-3-6(8)4-2-5;;/h1-4,8H;;/q;+1;-1.
What are the key properties of sodium;4-fluorobenzenethiol;hydride?
sodium;4-fluorobenzenethiol;hydride has a molecular weight of 152.17 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-fluorobenzenethiol;hydride is sourced from PubChem (CID 173161552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).