4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine

C8H3Cl3N2S2 — CID 10709154

IUPAC4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine
SMILESClc1cccc(Cl)c1/N=c1\ssnc1Cl
InChIInChI=1S/C8H3Cl3N2S2/c9-4-2-1-3-5(10)6(4)12-8-7(11)13-15-14-8/h1-3H/b12-8-
InChIKeySWQLDCBMWIMMCP-WQLSENKSSA-N
MW297.62 g/mol
LogP4.40
Rot. Bonds1

About 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine

4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine (PubChem CID 10709154) has the molecular formula C8H3Cl3N2S2 and a molecular weight of 297.62 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine
PubChem CID10709154
Molecular FormulaC8H3Cl3N2S2
Molecular Weight297.62 g/mol
Exact Mass295.88
IUPAC Name4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine
SMILESClc1cccc(Cl)c1/N=c1\ssnc1Cl
InChIInChI=1S/C8H3Cl3N2S2/c9-4-2-1-3-5(10)6(4)12-8-7(11)13-15-14-8/h1-3H/b12-8-
InChIKeySWQLDCBMWIMMCP-WQLSENKSSA-N
XLogP4.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.62
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine (CID 10709154) is 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine is Clc1cccc(Cl)c1/N=c1\ssnc1Cl.
What is the InChIKey of 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine?
The InChIKey is SWQLDCBMWIMMCP-WQLSENKSSA-N. The full InChI is InChI=1S/C8H3Cl3N2S2/c9-4-2-1-3-5(10)6(4)12-8-7(11)13-15-14-8/h1-3H/b12-8-.
What are the key properties of 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine?
4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine has a molecular weight of 297.62 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine is sourced from PubChem (CID 10709154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).