2-chloro-6-fluorobenzenecarbothioyl chloride

C7H3Cl2FS — CID 135378581

IUPAC2-chloro-6-fluorobenzenecarbothioyl chloride
SMILESFc1cccc(Cl)c1C(=S)Cl
InChIInChI=1S/C7H3Cl2FS/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
InChIKeyICTXXKXLYRVOQI-UHFFFAOYSA-N
MW209.07 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-6-fluorobenzenecarbothioyl chloride

2-chloro-6-fluorobenzenecarbothioyl chloride (PubChem CID 135378581) has the molecular formula C7H3Cl2FS and a molecular weight of 209.07 g/mol. Its IUPAC name is 2-chloro-6-fluorobenzenecarbothioyl chloride.

Molecular Properties

Compound Name2-chloro-6-fluorobenzenecarbothioyl chloride
PubChem CID135378581
Molecular FormulaC7H3Cl2FS
Molecular Weight209.07 g/mol
Exact Mass207.93
IUPAC Name2-chloro-6-fluorobenzenecarbothioyl chloride
SMILESFc1cccc(Cl)c1C(=S)Cl
InChIInChI=1S/C7H3Cl2FS/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
InChIKeyICTXXKXLYRVOQI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluorobenzenecarbothioyl chloride?
The IUPAC name of 2-chloro-6-fluorobenzenecarbothioyl chloride (CID 135378581) is 2-chloro-6-fluorobenzenecarbothioyl chloride.
What is the SMILES notation for 2-chloro-6-fluorobenzenecarbothioyl chloride?
The canonical SMILES for 2-chloro-6-fluorobenzenecarbothioyl chloride is Fc1cccc(Cl)c1C(=S)Cl.
What is the InChIKey of 2-chloro-6-fluorobenzenecarbothioyl chloride?
The InChIKey is ICTXXKXLYRVOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FS/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H.
What are the key properties of 2-chloro-6-fluorobenzenecarbothioyl chloride?
2-chloro-6-fluorobenzenecarbothioyl chloride has a molecular weight of 209.07 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluorobenzenecarbothioyl chloride is sourced from PubChem (CID 135378581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).