2,3,4,5,6-pentafluorobenzenethiol

C6HF5S — CID 13042

IUPAC2,3,4,5,6-pentafluorobenzenethiol
SMILESFc1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeyUVAMFBJPMUMURT-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.67
Rot. Bonds

About 2,3,4,5,6-pentafluorobenzenethiol

2,3,4,5,6-pentafluorobenzenethiol (PubChem CID 13042) has the molecular formula C6HF5S and a molecular weight of 200.13 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenethiol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenethiol
PubChem CID13042
Molecular FormulaC6HF5S
Molecular Weight200.13 g/mol
Exact Mass199.97
IUPAC Name2,3,4,5,6-pentafluorobenzenethiol
SMILESFc1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeyUVAMFBJPMUMURT-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorobenzenethiol?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenethiol (CID 13042) is 2,3,4,5,6-pentafluorobenzenethiol.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenethiol?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenethiol is Fc1c(F)c(F)c(S)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenethiol?
The InChIKey is UVAMFBJPMUMURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H.
What are the key properties of 2,3,4,5,6-pentafluorobenzenethiol?
2,3,4,5,6-pentafluorobenzenethiol has a molecular weight of 200.13 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenethiol is sourced from PubChem (CID 13042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).