9H-carbazole;bis(thiadiazole)

C16H13N5S2 — CID 158705635

IUPAC9H-carbazole;bis(thiadiazole)
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1csnn1.c1csnn1
InChIInChI=1S/C12H9N.2C2H2N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-5-4-3-1/h1-8,13H;2*1-2H
InChIKeyIIBQCNIIPBHHDQ-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.40
Rot. Bonds

About 9H-carbazole;bis(thiadiazole)

9H-carbazole;bis(thiadiazole) (PubChem CID 158705635) has the molecular formula C16H13N5S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 9H-carbazole;bis(thiadiazole).

Molecular Properties

Compound Name9H-carbazole;bis(thiadiazole)
PubChem CID158705635
Molecular FormulaC16H13N5S2
Molecular Weight339.45 g/mol
Exact Mass339.06
IUPAC Name9H-carbazole;bis(thiadiazole)
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1csnn1.c1csnn1
InChIInChI=1S/C12H9N.2C2H2N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-5-4-3-1/h1-8,13H;2*1-2H
InChIKeyIIBQCNIIPBHHDQ-UHFFFAOYSA-N
XLogP4.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;bis(thiadiazole)?
The IUPAC name of 9H-carbazole;bis(thiadiazole) (CID 158705635) is 9H-carbazole;bis(thiadiazole).
What is the SMILES notation for 9H-carbazole;bis(thiadiazole)?
The canonical SMILES for 9H-carbazole;bis(thiadiazole) is c1ccc2c(c1)[nH]c1ccccc12.c1csnn1.c1csnn1.
What is the InChIKey of 9H-carbazole;bis(thiadiazole)?
The InChIKey is IIBQCNIIPBHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.2C2H2N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-5-4-3-1/h1-8,13H;2*1-2H.
What are the key properties of 9H-carbazole;bis(thiadiazole)?
9H-carbazole;bis(thiadiazole) has a molecular weight of 339.45 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;bis(thiadiazole) is sourced from PubChem (CID 158705635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).