(2-nitrophenyl) thiohypochlorite

C6H4ClNO2S — CID 24319

IUPAC(2-nitrophenyl) thiohypochlorite
SMILESO=[N+]([O-])c1ccccc1SCl
InChIInChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H
InChIKeyNTNKNFHIAFDCSJ-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.84
Rot. Bonds2

About (2-nitrophenyl) thiohypochlorite

(2-nitrophenyl) thiohypochlorite (PubChem CID 24319) has the molecular formula C6H4ClNO2S and a molecular weight of 189.62 g/mol. Its IUPAC name is (2-nitrophenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-nitrophenyl) thiohypochlorite
PubChem CID24319
Molecular FormulaC6H4ClNO2S
Molecular Weight189.62 g/mol
Exact Mass188.97
IUPAC Name(2-nitrophenyl) thiohypochlorite
SMILESO=[N+]([O-])c1ccccc1SCl
InChIInChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H
InChIKeyNTNKNFHIAFDCSJ-UHFFFAOYSA-N
XLogP2.84
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 7416
CID 7416
CID 7404
CID 7404
CID 15540
CID 15540
CID 123210
CID 123210
CID 363892
CID 363892
CID 96109
CID 96109
CID 74255
CID 74255
CID 15809
CID 15809
CID 138510
CID 138510
CID 348620
CID 348620
CID 8476
CID 8476
CID 68251
CID 68251

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) thiohypochlorite?
The IUPAC name of (2-nitrophenyl) thiohypochlorite (CID 24319) is (2-nitrophenyl) thiohypochlorite.
What is the SMILES notation for (2-nitrophenyl) thiohypochlorite?
The canonical SMILES for (2-nitrophenyl) thiohypochlorite is O=[N+]([O-])c1ccccc1SCl.
What is the InChIKey of (2-nitrophenyl) thiohypochlorite?
The InChIKey is NTNKNFHIAFDCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H.
What are the key properties of (2-nitrophenyl) thiohypochlorite?
(2-nitrophenyl) thiohypochlorite has a molecular weight of 189.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) thiohypochlorite is sourced from PubChem (CID 24319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).