(4-bromoanilino) thiohypochlorite

C6H5BrClNS — CID 10537931

IUPAC(4-bromoanilino) thiohypochlorite
SMILESClSNc1ccc(Br)cc1
InChIInChI=1S/C6H5BrClNS/c7-5-1-3-6(4-2-5)9-10-8/h1-4,9H
InChIKeyOGVKMSCLRMEMBV-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.66
Rot. Bonds2

About (4-bromoanilino) thiohypochlorite

(4-bromoanilino) thiohypochlorite (PubChem CID 10537931) has the molecular formula C6H5BrClNS and a molecular weight of 238.54 g/mol. Its IUPAC name is (4-bromoanilino) thiohypochlorite.

Molecular Properties

Compound Name(4-bromoanilino) thiohypochlorite
PubChem CID10537931
Molecular FormulaC6H5BrClNS
Molecular Weight238.54 g/mol
Exact Mass236.90
IUPAC Name(4-bromoanilino) thiohypochlorite
SMILESClSNc1ccc(Br)cc1
InChIInChI=1S/C6H5BrClNS/c7-5-1-3-6(4-2-5)9-10-8/h1-4,9H
InChIKeyOGVKMSCLRMEMBV-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromoanilino) thiohypochlorite?
The IUPAC name of (4-bromoanilino) thiohypochlorite (CID 10537931) is (4-bromoanilino) thiohypochlorite.
What is the SMILES notation for (4-bromoanilino) thiohypochlorite?
The canonical SMILES for (4-bromoanilino) thiohypochlorite is ClSNc1ccc(Br)cc1.
What is the InChIKey of (4-bromoanilino) thiohypochlorite?
The InChIKey is OGVKMSCLRMEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNS/c7-5-1-3-6(4-2-5)9-10-8/h1-4,9H.
What are the key properties of (4-bromoanilino) thiohypochlorite?
(4-bromoanilino) thiohypochlorite has a molecular weight of 238.54 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromoanilino) thiohypochlorite is sourced from PubChem (CID 10537931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).