4-chloro-N-(4-iodophenyl)dithiazol-5-imine

C8H4ClIN2S2 — CID 22765936

IUPAC4-chloro-N-(4-iodophenyl)dithiazol-5-imine
SMILESClc1nss/c1=N\c1ccc(I)cc1
InChIInChI=1S/C8H4ClIN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8-
InChIKeyQEHCCCNNBFOGSK-FLIBITNWSA-N
MW354.63 g/mol
LogP3.69
Rot. Bonds1

About 4-chloro-N-(4-iodophenyl)dithiazol-5-imine

4-chloro-N-(4-iodophenyl)dithiazol-5-imine (PubChem CID 22765936) has the molecular formula C8H4ClIN2S2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-chloro-N-(4-iodophenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(4-iodophenyl)dithiazol-5-imine
PubChem CID22765936
Molecular FormulaC8H4ClIN2S2
Molecular Weight354.63 g/mol
Exact Mass353.85
IUPAC Name4-chloro-N-(4-iodophenyl)dithiazol-5-imine
SMILESClc1nss/c1=N\c1ccc(I)cc1
InChIInChI=1S/C8H4ClIN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8-
InChIKeyQEHCCCNNBFOGSK-FLIBITNWSA-N
XLogP3.69
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-iodophenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(4-iodophenyl)dithiazol-5-imine (CID 22765936) is 4-chloro-N-(4-iodophenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(4-iodophenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(4-iodophenyl)dithiazol-5-imine is Clc1nss/c1=N\c1ccc(I)cc1.
What is the InChIKey of 4-chloro-N-(4-iodophenyl)dithiazol-5-imine?
The InChIKey is QEHCCCNNBFOGSK-FLIBITNWSA-N. The full InChI is InChI=1S/C8H4ClIN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8-.
What are the key properties of 4-chloro-N-(4-iodophenyl)dithiazol-5-imine?
4-chloro-N-(4-iodophenyl)dithiazol-5-imine has a molecular weight of 354.63 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-iodophenyl)dithiazol-5-imine is sourced from PubChem (CID 22765936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).