(3-acetyl-4-chlorophenyl) thiohypochlorite

C8H6Cl2OS — CID 143610693

IUPAC(3-acetyl-4-chlorophenyl) thiohypochlorite
SMILESCC(=O)c1cc(SCl)ccc1Cl
InChIInChI=1S/C8H6Cl2OS/c1-5(11)7-4-6(12-10)2-3-8(7)9/h2-4H,1H3
InChIKeyDGRZNGXMOQDCPV-UHFFFAOYSA-N
MW221.11 g/mol
LogP3.79
Rot. Bonds2

About (3-acetyl-4-chlorophenyl) thiohypochlorite

(3-acetyl-4-chlorophenyl) thiohypochlorite (PubChem CID 143610693) has the molecular formula C8H6Cl2OS and a molecular weight of 221.11 g/mol. Its IUPAC name is (3-acetyl-4-chlorophenyl) thiohypochlorite.

Molecular Properties

Compound Name(3-acetyl-4-chlorophenyl) thiohypochlorite
PubChem CID143610693
Molecular FormulaC8H6Cl2OS
Molecular Weight221.11 g/mol
Exact Mass219.95
IUPAC Name(3-acetyl-4-chlorophenyl) thiohypochlorite
SMILESCC(=O)c1cc(SCl)ccc1Cl
InChIInChI=1S/C8H6Cl2OS/c1-5(11)7-4-6(12-10)2-3-8(7)9/h2-4H,1H3
InChIKeyDGRZNGXMOQDCPV-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-acetyl-4-chlorophenyl) thiohypochlorite?
The IUPAC name of (3-acetyl-4-chlorophenyl) thiohypochlorite (CID 143610693) is (3-acetyl-4-chlorophenyl) thiohypochlorite.
What is the SMILES notation for (3-acetyl-4-chlorophenyl) thiohypochlorite?
The canonical SMILES for (3-acetyl-4-chlorophenyl) thiohypochlorite is CC(=O)c1cc(SCl)ccc1Cl.
What is the InChIKey of (3-acetyl-4-chlorophenyl) thiohypochlorite?
The InChIKey is DGRZNGXMOQDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2OS/c1-5(11)7-4-6(12-10)2-3-8(7)9/h2-4H,1H3.
What are the key properties of (3-acetyl-4-chlorophenyl) thiohypochlorite?
(3-acetyl-4-chlorophenyl) thiohypochlorite has a molecular weight of 221.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-4-chlorophenyl) thiohypochlorite is sourced from PubChem (CID 143610693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).