4-chloro-N-(3-chlorophenyl)dithiazol-5-imine

C8H4Cl2N2S2 — CID 25181208

IUPAC4-chloro-N-(3-chlorophenyl)dithiazol-5-imine
SMILESClc1cccc(/N=c2\ssnc2Cl)c1
InChIInChI=1S/C8H4Cl2N2S2/c9-5-2-1-3-6(4-5)11-8-7(10)12-14-13-8/h1-4H/b11-8-
InChIKeyHETDLPPJOQUSBF-FLIBITNWSA-N
MW263.17 g/mol
LogP3.74
Rot. Bonds1

About 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine

4-chloro-N-(3-chlorophenyl)dithiazol-5-imine (PubChem CID 25181208) has the molecular formula C8H4Cl2N2S2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)dithiazol-5-imine
PubChem CID25181208
Molecular FormulaC8H4Cl2N2S2
Molecular Weight263.17 g/mol
Exact Mass261.92
IUPAC Name4-chloro-N-(3-chlorophenyl)dithiazol-5-imine
SMILESClc1cccc(/N=c2\ssnc2Cl)c1
InChIInChI=1S/C8H4Cl2N2S2/c9-5-2-1-3-6(4-5)11-8-7(10)12-14-13-8/h1-4H/b11-8-
InChIKeyHETDLPPJOQUSBF-FLIBITNWSA-N
XLogP3.74
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine (CID 25181208) is 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine is Clc1cccc(/N=c2\ssnc2Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine?
The InChIKey is HETDLPPJOQUSBF-FLIBITNWSA-N. The full InChI is InChI=1S/C8H4Cl2N2S2/c9-5-2-1-3-6(4-5)11-8-7(10)12-14-13-8/h1-4H/b11-8-.
What are the key properties of 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine?
4-chloro-N-(3-chlorophenyl)dithiazol-5-imine has a molecular weight of 263.17 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chlorophenyl)dithiazol-5-imine is sourced from PubChem (CID 25181208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).