2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline

C22H12N2S2 — CID 135177884

IUPAC2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline
SMILESc1ccc2nc(-c3cc4ccc5c(ccc6ccsc65)c4s3)cnc2c1
InChIInChI=1S/C22H12N2S2/c1-2-4-18-17(3-1)23-12-19(24-18)20-11-14-6-8-15-16(22(14)26-20)7-5-13-9-10-25-21(13)15/h1-12H
InChIKeyHBDKMPAJVWHJQO-UHFFFAOYSA-N
MW368.49 g/mol
LogP6.88
Rot. Bonds1

About 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline

2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline (PubChem CID 135177884) has the molecular formula C22H12N2S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline.

Molecular Properties

Compound Name2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline
PubChem CID135177884
Molecular FormulaC22H12N2S2
Molecular Weight368.49 g/mol
Exact Mass368.04
IUPAC Name2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline
SMILESc1ccc2nc(-c3cc4ccc5c(ccc6ccsc65)c4s3)cnc2c1
InChIInChI=1S/C22H12N2S2/c1-2-4-18-17(3-1)23-12-19(24-18)20-11-14-6-8-15-16(22(14)26-20)7-5-13-9-10-25-21(13)15/h1-12H
InChIKeyHBDKMPAJVWHJQO-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline with MolForge

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Related Compounds

5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-[5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-pyridinyl]pyridine
CID 170275037
2-thieno[3,2-b]thiophen-5-ylquinoxaline
CID 162419412
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
4-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2,6-bis(4-pyridin-4-ylphenyl)pyrimidine;4-[4-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-2,6-diphenylpyridine;bis(4-[4-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-2,6-diphenylpyrimidine)
CID 158782401
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine
CID 168746424
2-pyrimidin-5-ylthieno[3,2-c]quinoline
CID 71530528
2-thiophen-2-ylpyrido[3,4-b]pyrazine
CID 19063766
3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 152541674
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline?
The IUPAC name of 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline (CID 135177884) is 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline.
What is the SMILES notation for 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline?
The canonical SMILES for 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline is c1ccc2nc(-c3cc4ccc5c(ccc6ccsc65)c4s3)cnc2c1.
What is the InChIKey of 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline?
The InChIKey is HBDKMPAJVWHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2S2/c1-2-4-18-17(3-1)23-12-19(24-18)20-11-14-6-8-15-16(22(14)26-20)7-5-13-9-10-25-21(13)15/h1-12H.
What are the key properties of 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline?
2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline has a molecular weight of 368.49 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline is sourced from PubChem (CID 135177884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).