(2-chlorophenyl) thiohypochlorite

C6H4Cl2S — CID 12963240

IUPAC(2-chlorophenyl) thiohypochlorite
SMILESClSc1ccccc1Cl
InChIInChI=1S/C6H4Cl2S/c7-5-3-1-2-4-6(5)9-8/h1-4H
InChIKeyHGKUXIBLMFZDRP-UHFFFAOYSA-N
MW179.07 g/mol
LogP3.59
Rot. Bonds1

About (2-chlorophenyl) thiohypochlorite

(2-chlorophenyl) thiohypochlorite (PubChem CID 12963240) has the molecular formula C6H4Cl2S and a molecular weight of 179.07 g/mol. Its IUPAC name is (2-chlorophenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-chlorophenyl) thiohypochlorite
PubChem CID12963240
Molecular FormulaC6H4Cl2S
Molecular Weight179.07 g/mol
Exact Mass177.94
IUPAC Name(2-chlorophenyl) thiohypochlorite
SMILESClSc1ccccc1Cl
InChIInChI=1S/C6H4Cl2S/c7-5-3-1-2-4-6(5)9-8/h1-4H
InChIKeyHGKUXIBLMFZDRP-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.07
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) thiohypochlorite?
The IUPAC name of (2-chlorophenyl) thiohypochlorite (CID 12963240) is (2-chlorophenyl) thiohypochlorite.
What is the SMILES notation for (2-chlorophenyl) thiohypochlorite?
The canonical SMILES for (2-chlorophenyl) thiohypochlorite is ClSc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) thiohypochlorite?
The InChIKey is HGKUXIBLMFZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2S/c7-5-3-1-2-4-6(5)9-8/h1-4H.
What are the key properties of (2-chlorophenyl) thiohypochlorite?
(2-chlorophenyl) thiohypochlorite has a molecular weight of 179.07 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) thiohypochlorite is sourced from PubChem (CID 12963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).