thiadiazole-4,5-dicarbonitrile

C4N4S — CID 23070555

IUPACthiadiazole-4,5-dicarbonitrile
SMILESN#Cc1nnsc1C#N
InChIInChI=1S/C4N4S/c5-1-3-4(2-6)9-8-7-3
InChIKeySDKDFINAXARVOZ-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.28
Rot. Bonds

About thiadiazole-4,5-dicarbonitrile

thiadiazole-4,5-dicarbonitrile (PubChem CID 23070555) has the molecular formula C4N4S and a molecular weight of 136.14 g/mol. Its IUPAC name is thiadiazole-4,5-dicarbonitrile.

Molecular Properties

Compound Namethiadiazole-4,5-dicarbonitrile
PubChem CID23070555
Molecular FormulaC4N4S
Molecular Weight136.14 g/mol
Exact Mass135.98
IUPAC Namethiadiazole-4,5-dicarbonitrile
SMILESN#Cc1nnsc1C#N
InChIInChI=1S/C4N4S/c5-1-3-4(2-6)9-8-7-3
InChIKeySDKDFINAXARVOZ-UHFFFAOYSA-N
XLogP0.28
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-4,5-dicarbonitrile?
The IUPAC name of thiadiazole-4,5-dicarbonitrile (CID 23070555) is thiadiazole-4,5-dicarbonitrile.
What is the SMILES notation for thiadiazole-4,5-dicarbonitrile?
The canonical SMILES for thiadiazole-4,5-dicarbonitrile is N#Cc1nnsc1C#N.
What is the InChIKey of thiadiazole-4,5-dicarbonitrile?
The InChIKey is SDKDFINAXARVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4N4S/c5-1-3-4(2-6)9-8-7-3.
What are the key properties of thiadiazole-4,5-dicarbonitrile?
thiadiazole-4,5-dicarbonitrile has a molecular weight of 136.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-4,5-dicarbonitrile is sourced from PubChem (CID 23070555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).