4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine

C7H3Cl2N3S2 — CID 548573

IUPAC4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine
SMILESClc1ccc(/N=c2/ssnc2Cl)nc1
InChIInChI=1S/C7H3Cl2N3S2/c8-4-1-2-5(10-3-4)11-7-6(9)12-14-13-7/h1-3H/b11-7+
InChIKeyWMFVRSWPSFMZFZ-YRNVUSSQSA-N
MW264.16 g/mol
LogP3.14
Rot. Bonds1

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

4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine (PubChem CID 548573) has the molecular formula C7H3Cl2N3S2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine
PubChem CID548573
Molecular FormulaC7H3Cl2N3S2
Molecular Weight264.16 g/mol
Exact Mass262.91
IUPAC Name4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine
SMILESClc1ccc(/N=c2/ssnc2Cl)nc1
InChIInChI=1S/C7H3Cl2N3S2/c8-4-1-2-5(10-3-4)11-7-6(9)12-14-13-7/h1-3H/b11-7+
InChIKeyWMFVRSWPSFMZFZ-YRNVUSSQSA-N
XLogP3.14
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine (CID 548573) is 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine is Clc1ccc(/N=c2/ssnc2Cl)nc1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine?
The InChIKey is WMFVRSWPSFMZFZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C7H3Cl2N3S2/c8-4-1-2-5(10-3-4)11-7-6(9)12-14-13-7/h1-3H/b11-7+.
What are the key properties of 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine?
4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine has a molecular weight of 264.16 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-pyridinyl)dithiazol-5-imine is sourced from PubChem (CID 548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).