6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene

C5H4N2S2 — CID 89215377

IUPAC6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene
SMILESCc1scc2c1N=S=N2
InChIInChI=1S/C5H4N2S2/c1-3-5-4(2-8-3)6-9-7-5/h2H,1H3
InChIKeyMHLGDOPBRCXESK-UHFFFAOYSA-N
MW156.24 g/mol
LogP2.78
Rot. Bonds

About 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene

6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene (PubChem CID 89215377) has the molecular formula C5H4N2S2 and a molecular weight of 156.24 g/mol. Its IUPAC name is 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene.

Molecular Properties

Compound Name6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene
PubChem CID89215377
Molecular FormulaC5H4N2S2
Molecular Weight156.24 g/mol
Exact Mass155.98
IUPAC Name6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene
SMILESCc1scc2c1N=S=N2
InChIInChI=1S/C5H4N2S2/c1-3-5-4(2-8-3)6-9-7-5/h2H,1H3
InChIKeyMHLGDOPBRCXESK-UHFFFAOYSA-N
XLogP2.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene?
The IUPAC name of 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene (CID 89215377) is 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene.
What is the SMILES notation for 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene?
The canonical SMILES for 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene is Cc1scc2c1N=S=N2.
What is the InChIKey of 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene?
The InChIKey is MHLGDOPBRCXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S2/c1-3-5-4(2-8-3)6-9-7-5/h2H,1H3.
What are the key properties of 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene?
6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene has a molecular weight of 156.24 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene is sourced from PubChem (CID 89215377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).