2,3-dichloro-5-fluorobenzenethiol

C6H3Cl2FS — CID 91874134

IUPAC2,3-dichloro-5-fluorobenzenethiol
SMILESFc1cc(S)c(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(10)6(4)8/h1-2,10H
InChIKeySSUBBMSNQVKJAM-UHFFFAOYSA-N
MW197.06 g/mol
LogP3.42
Rot. Bonds

About 2,3-dichloro-5-fluorobenzenethiol

2,3-dichloro-5-fluorobenzenethiol (PubChem CID 91874134) has the molecular formula C6H3Cl2FS and a molecular weight of 197.06 g/mol. Its IUPAC name is 2,3-dichloro-5-fluorobenzenethiol.

Molecular Properties

Compound Name2,3-dichloro-5-fluorobenzenethiol
PubChem CID91874134
Molecular FormulaC6H3Cl2FS
Molecular Weight197.06 g/mol
Exact Mass195.93
IUPAC Name2,3-dichloro-5-fluorobenzenethiol
SMILESFc1cc(S)c(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(10)6(4)8/h1-2,10H
InChIKeySSUBBMSNQVKJAM-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-dichloro-5-fluorobenzenethiol?
The IUPAC name of 2,3-dichloro-5-fluorobenzenethiol (CID 91874134) is 2,3-dichloro-5-fluorobenzenethiol.
What is the SMILES notation for 2,3-dichloro-5-fluorobenzenethiol?
The canonical SMILES for 2,3-dichloro-5-fluorobenzenethiol is Fc1cc(S)c(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-fluorobenzenethiol?
The InChIKey is SSUBBMSNQVKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FS/c7-4-1-3(9)2-5(10)6(4)8/h1-2,10H.
What are the key properties of 2,3-dichloro-5-fluorobenzenethiol?
2,3-dichloro-5-fluorobenzenethiol has a molecular weight of 197.06 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-fluorobenzenethiol is sourced from PubChem (CID 91874134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).