(3,4-dichlorophenyl) thiohypochlorite

C6H3Cl3S — CID 12878540

IUPAC(3,4-dichlorophenyl) thiohypochlorite
SMILESClSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3S/c7-5-2-1-4(10-9)3-6(5)8/h1-3H
InChIKeyAKCQLOHUYOQIAP-UHFFFAOYSA-N
MW213.52 g/mol
LogP4.24
Rot. Bonds1

About (3,4-dichlorophenyl) thiohypochlorite

(3,4-dichlorophenyl) thiohypochlorite (PubChem CID 12878540) has the molecular formula C6H3Cl3S and a molecular weight of 213.52 g/mol. Its IUPAC name is (3,4-dichlorophenyl) thiohypochlorite.

Molecular Properties

Compound Name(3,4-dichlorophenyl) thiohypochlorite
PubChem CID12878540
Molecular FormulaC6H3Cl3S
Molecular Weight213.52 g/mol
Exact Mass211.90
IUPAC Name(3,4-dichlorophenyl) thiohypochlorite
SMILESClSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl3S/c7-5-2-1-4(10-9)3-6(5)8/h1-3H
InChIKeyAKCQLOHUYOQIAP-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) thiohypochlorite?
The IUPAC name of (3,4-dichlorophenyl) thiohypochlorite (CID 12878540) is (3,4-dichlorophenyl) thiohypochlorite.
What is the SMILES notation for (3,4-dichlorophenyl) thiohypochlorite?
The canonical SMILES for (3,4-dichlorophenyl) thiohypochlorite is ClSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) thiohypochlorite?
The InChIKey is AKCQLOHUYOQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3S/c7-5-2-1-4(10-9)3-6(5)8/h1-3H.
What are the key properties of (3,4-dichlorophenyl) thiohypochlorite?
(3,4-dichlorophenyl) thiohypochlorite has a molecular weight of 213.52 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) thiohypochlorite is sourced from PubChem (CID 12878540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).