(4-chlorophenyl)methyl thiohypochlorite

C7H6Cl2S — CID 57103251

IUPAC(4-chlorophenyl)methyl thiohypochlorite
SMILESClSCc1ccc(Cl)cc1
InChIInChI=1S/C7H6Cl2S/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2
InChIKeyDXHWGZAGFLJIKN-UHFFFAOYSA-N
MW193.10 g/mol
LogP3.73
Rot. Bonds2

About (4-chlorophenyl)methyl thiohypochlorite

(4-chlorophenyl)methyl thiohypochlorite (PubChem CID 57103251) has the molecular formula C7H6Cl2S and a molecular weight of 193.10 g/mol. Its IUPAC name is (4-chlorophenyl)methyl thiohypochlorite.

Molecular Properties

Compound Name(4-chlorophenyl)methyl thiohypochlorite
PubChem CID57103251
Molecular FormulaC7H6Cl2S
Molecular Weight193.10 g/mol
Exact Mass191.96
IUPAC Name(4-chlorophenyl)methyl thiohypochlorite
SMILESClSCc1ccc(Cl)cc1
InChIInChI=1S/C7H6Cl2S/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2
InChIKeyDXHWGZAGFLJIKN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl thiohypochlorite?
The IUPAC name of (4-chlorophenyl)methyl thiohypochlorite (CID 57103251) is (4-chlorophenyl)methyl thiohypochlorite.
What is the SMILES notation for (4-chlorophenyl)methyl thiohypochlorite?
The canonical SMILES for (4-chlorophenyl)methyl thiohypochlorite is ClSCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl thiohypochlorite?
The InChIKey is DXHWGZAGFLJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2S/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2.
What are the key properties of (4-chlorophenyl)methyl thiohypochlorite?
(4-chlorophenyl)methyl thiohypochlorite has a molecular weight of 193.10 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl thiohypochlorite is sourced from PubChem (CID 57103251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).