6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile

C17H12N2S2 — CID 15423000

IUPAC6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile
SMILESCSc1c(C#N)c2sccc2c2c3ccccc3n(C)c12
InChIInChI=1S/C17H12N2S2/c1-19-13-6-4-3-5-10(13)14-11-7-8-21-16(11)12(9-18)17(20-2)15(14)19/h3-8H,1-2H3
InChIKeyUSQIMETXPKILPV-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.14
Rot. Bonds1

About 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile

6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile (PubChem CID 15423000) has the molecular formula C17H12N2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile
PubChem CID15423000
Molecular FormulaC17H12N2S2
Molecular Weight308.43 g/mol
Exact Mass308.04
IUPAC Name6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile
SMILESCSc1c(C#N)c2sccc2c2c3ccccc3n(C)c12
InChIInChI=1S/C17H12N2S2/c1-19-13-6-4-3-5-10(13)14-11-7-8-21-16(11)12(9-18)17(20-2)15(14)19/h3-8H,1-2H3
InChIKeyUSQIMETXPKILPV-UHFFFAOYSA-N
XLogP5.14
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile?
The IUPAC name of 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile (CID 15423000) is 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile.
What is the SMILES notation for 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile?
The canonical SMILES for 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile is CSc1c(C#N)c2sccc2c2c3ccccc3n(C)c12.
What is the InChIKey of 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile?
The InChIKey is USQIMETXPKILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S2/c1-19-13-6-4-3-5-10(13)14-11-7-8-21-16(11)12(9-18)17(20-2)15(14)19/h3-8H,1-2H3.
What are the key properties of 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile?
6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile has a molecular weight of 308.43 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylsulfanylthieno[2,3-c]carbazole-4-carbonitrile is sourced from PubChem (CID 15423000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).