4,5-dimethylthiadiazole;ethane

C6H12N2S — CID 142911411

IUPAC4,5-dimethylthiadiazole;ethane
SMILESCC.Cc1nnsc1C
InChIInChI=1S/C4H6N2S.C2H6/c1-3-4(2)7-6-5-3;1-2/h1-2H3;1-2H3
InChIKeyIOPNXHWLYUYSHG-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.18
Rot. Bonds

About 4,5-dimethylthiadiazole;ethane

4,5-dimethylthiadiazole;ethane (PubChem CID 142911411) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 4,5-dimethylthiadiazole;ethane.

Molecular Properties

Compound Name4,5-dimethylthiadiazole;ethane
PubChem CID142911411
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name4,5-dimethylthiadiazole;ethane
SMILESCC.Cc1nnsc1C
InChIInChI=1S/C4H6N2S.C2H6/c1-3-4(2)7-6-5-3;1-2/h1-2H3;1-2H3
InChIKeyIOPNXHWLYUYSHG-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiadiazole;ethane?
The IUPAC name of 4,5-dimethylthiadiazole;ethane (CID 142911411) is 4,5-dimethylthiadiazole;ethane.
What is the SMILES notation for 4,5-dimethylthiadiazole;ethane?
The canonical SMILES for 4,5-dimethylthiadiazole;ethane is CC.Cc1nnsc1C.
What is the InChIKey of 4,5-dimethylthiadiazole;ethane?
The InChIKey is IOPNXHWLYUYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C2H6/c1-3-4(2)7-6-5-3;1-2/h1-2H3;1-2H3.
What are the key properties of 4,5-dimethylthiadiazole;ethane?
4,5-dimethylthiadiazole;ethane has a molecular weight of 144.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiadiazole;ethane is sourced from PubChem (CID 142911411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).