(chloroamino) thiohypochlorite

HCl2NS — CID 22752027

IUPAC(chloroamino) thiohypochlorite
SMILESClNSCl
InChIInChI=1S/Cl2HNS/c1-3-4-2/h3H
InChIKeyRJXQULNGDISZFA-UHFFFAOYSA-N
MW117.99 g/mol
LogP1.53
Rot. Bonds1

About (chloroamino) thiohypochlorite

(chloroamino) thiohypochlorite (PubChem CID 22752027) has the molecular formula HCl2NS and a molecular weight of 117.99 g/mol. Its IUPAC name is (chloroamino) thiohypochlorite.

Molecular Properties

Compound Name(chloroamino) thiohypochlorite
PubChem CID22752027
Molecular FormulaHCl2NS
Molecular Weight117.99 g/mol
Exact Mass116.92
IUPAC Name(chloroamino) thiohypochlorite
SMILESClNSCl
InChIInChI=1S/Cl2HNS/c1-3-4-2/h3H
InChIKeyRJXQULNGDISZFA-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.99
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (chloroamino) thiohypochlorite?
The IUPAC name of (chloroamino) thiohypochlorite (CID 22752027) is (chloroamino) thiohypochlorite.
What is the SMILES notation for (chloroamino) thiohypochlorite?
The canonical SMILES for (chloroamino) thiohypochlorite is ClNSCl.
What is the InChIKey of (chloroamino) thiohypochlorite?
The InChIKey is RJXQULNGDISZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2HNS/c1-3-4-2/h3H.
What are the key properties of (chloroamino) thiohypochlorite?
(chloroamino) thiohypochlorite has a molecular weight of 117.99 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (chloroamino) thiohypochlorite is sourced from PubChem (CID 22752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).