phenyl thiohypochlorite

C6H5ClS — CID 11008040

IUPACphenyl thiohypochlorite
SMILESClSc1ccccc1
InChIInChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKeyJWUKZUIGOJBEPC-UHFFFAOYSA-N
MW144.63 g/mol
LogP2.93
Rot. Bonds1

About phenyl thiohypochlorite

phenyl thiohypochlorite (PubChem CID 11008040) has the molecular formula C6H5ClS and a molecular weight of 144.63 g/mol. Its IUPAC name is phenyl thiohypochlorite.

Molecular Properties

Compound Namephenyl thiohypochlorite
PubChem CID11008040
Molecular FormulaC6H5ClS
Molecular Weight144.63 g/mol
Exact Mass143.98
IUPAC Namephenyl thiohypochlorite
SMILESClSc1ccccc1
InChIInChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKeyJWUKZUIGOJBEPC-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl thiohypochlorite?
The IUPAC name of phenyl thiohypochlorite (CID 11008040) is phenyl thiohypochlorite.
What is the SMILES notation for phenyl thiohypochlorite?
The canonical SMILES for phenyl thiohypochlorite is ClSc1ccccc1.
What is the InChIKey of phenyl thiohypochlorite?
The InChIKey is JWUKZUIGOJBEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phenyl thiohypochlorite?
phenyl thiohypochlorite has a molecular weight of 144.63 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl thiohypochlorite is sourced from PubChem (CID 11008040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).