4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine

C7H2Cl3N3S2 — CID 86278907

IUPAC4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine
SMILESClc1cnc(N=c2ssnc2Cl)c(Cl)c1
InChIInChI=1S/C7H2Cl3N3S2/c8-3-1-4(9)6(11-2-3)12-7-5(10)13-15-14-7/h1-2H
InChIKeyZMKDSJOXSHRPNI-UHFFFAOYSA-N
MW298.61 g/mol
LogP3.79
Rot. Bonds1

About 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine

4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine (PubChem CID 86278907) has the molecular formula C7H2Cl3N3S2 and a molecular weight of 298.61 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine
PubChem CID86278907
Molecular FormulaC7H2Cl3N3S2
Molecular Weight298.61 g/mol
Exact Mass296.88
IUPAC Name4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine
SMILESClc1cnc(N=c2ssnc2Cl)c(Cl)c1
InChIInChI=1S/C7H2Cl3N3S2/c8-3-1-4(9)6(11-2-3)12-7-5(10)13-15-14-7/h1-2H
InChIKeyZMKDSJOXSHRPNI-UHFFFAOYSA-N
XLogP3.79
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.61
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine (CID 86278907) is 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine is Clc1cnc(N=c2ssnc2Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine?
The InChIKey is ZMKDSJOXSHRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3N3S2/c8-3-1-4(9)6(11-2-3)12-7-5(10)13-15-14-7/h1-2H.
What are the key properties of 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine?
4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine has a molecular weight of 298.61 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine is sourced from PubChem (CID 86278907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).