4-chloro-N-pyrazin-2-yldithiazol-5-imine

C6H3ClN4S2 — CID 86278909

IUPAC4-chloro-N-pyrazin-2-yldithiazol-5-imine
SMILESClc1nss/c1=N/c1cnccn1
InChIInChI=1S/C6H3ClN4S2/c7-5-6(12-13-11-5)10-4-3-8-1-2-9-4/h1-3H/b10-6+
InChIKeyDSFUWYAZUUDJFG-UXBLZVDNSA-N
MW230.71 g/mol
LogP1.88
Rot. Bonds1

About 4-chloro-N-pyrazin-2-yldithiazol-5-imine

4-chloro-N-pyrazin-2-yldithiazol-5-imine (PubChem CID 86278909) has the molecular formula C6H3ClN4S2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 4-chloro-N-pyrazin-2-yldithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-pyrazin-2-yldithiazol-5-imine
PubChem CID86278909
Molecular FormulaC6H3ClN4S2
Molecular Weight230.71 g/mol
Exact Mass229.95
IUPAC Name4-chloro-N-pyrazin-2-yldithiazol-5-imine
SMILESClc1nss/c1=N/c1cnccn1
InChIInChI=1S/C6H3ClN4S2/c7-5-6(12-13-11-5)10-4-3-8-1-2-9-4/h1-3H/b10-6+
InChIKeyDSFUWYAZUUDJFG-UXBLZVDNSA-N
XLogP1.88
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3,5-dichloro-2-pyridinyl)dithiazol-5-imine
CID 86278907
di(pyrazin-2-yl)diazene
CID 101239422
2,3-dichloropyrazine;pyrazine
CID 173325977
2-chloropyrazine;trihydrochloride
CID 175594254
2-chloro-3-pyrazin-2-ylsulfanylpyrazine
CID 63380670
N-hydroxy-N'-pyrazin-2-ylpropanimidamide
CID 137181777
pyrazin-2-amine;pyrazine
CID 161386116
CID 162237215
CID 162237215
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
iron;2-(6-pyrazin-2-yl-2-pyridinyl)pyrazine
CID 175253430
(4-methoxyphenyl)-pyrazin-2-yldiazene
CID 13015878
2-tert-butyl-6-(1-hydroxy-2-methylpropan-2-yl)-4-pyrazin-2-yliminocyclohexa-2,5-dien-1-one
CID 19779195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrazin-2-yldithiazol-5-imine?
The IUPAC name of 4-chloro-N-pyrazin-2-yldithiazol-5-imine (CID 86278909) is 4-chloro-N-pyrazin-2-yldithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-pyrazin-2-yldithiazol-5-imine?
The canonical SMILES for 4-chloro-N-pyrazin-2-yldithiazol-5-imine is Clc1nss/c1=N/c1cnccn1.
What is the InChIKey of 4-chloro-N-pyrazin-2-yldithiazol-5-imine?
The InChIKey is DSFUWYAZUUDJFG-UXBLZVDNSA-N. The full InChI is InChI=1S/C6H3ClN4S2/c7-5-6(12-13-11-5)10-4-3-8-1-2-9-4/h1-3H/b10-6+.
What are the key properties of 4-chloro-N-pyrazin-2-yldithiazol-5-imine?
4-chloro-N-pyrazin-2-yldithiazol-5-imine has a molecular weight of 230.71 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrazin-2-yldithiazol-5-imine is sourced from PubChem (CID 86278909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).