(2-hydroxy-3-phenylphenyl) thiohypochlorite

C12H9ClOS — CID 22013533

IUPAC(2-hydroxy-3-phenylphenyl) thiohypochlorite
SMILESOc1c(SCl)cccc1-c1ccccc1
InChIInChI=1S/C12H9ClOS/c13-15-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H
InChIKeyZLAKJTHBGHLJQD-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.31
Rot. Bonds2

About (2-hydroxy-3-phenylphenyl) thiohypochlorite

(2-hydroxy-3-phenylphenyl) thiohypochlorite (PubChem CID 22013533) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is (2-hydroxy-3-phenylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-hydroxy-3-phenylphenyl) thiohypochlorite
PubChem CID22013533
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name(2-hydroxy-3-phenylphenyl) thiohypochlorite
SMILESOc1c(SCl)cccc1-c1ccccc1
InChIInChI=1S/C12H9ClOS/c13-15-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H
InChIKeyZLAKJTHBGHLJQD-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenylphenyl) thiohypochlorite?
The IUPAC name of (2-hydroxy-3-phenylphenyl) thiohypochlorite (CID 22013533) is (2-hydroxy-3-phenylphenyl) thiohypochlorite.
What is the SMILES notation for (2-hydroxy-3-phenylphenyl) thiohypochlorite?
The canonical SMILES for (2-hydroxy-3-phenylphenyl) thiohypochlorite is Oc1c(SCl)cccc1-c1ccccc1.
What is the InChIKey of (2-hydroxy-3-phenylphenyl) thiohypochlorite?
The InChIKey is ZLAKJTHBGHLJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-15-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H.
What are the key properties of (2-hydroxy-3-phenylphenyl) thiohypochlorite?
(2-hydroxy-3-phenylphenyl) thiohypochlorite has a molecular weight of 236.72 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenylphenyl) thiohypochlorite is sourced from PubChem (CID 22013533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).