dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole

C20H12N2S3 — CID 161323465

IUPACdibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole
SMILESc1cc2c(ccc3snnc32)s1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.C8H4N2S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-7-8(9-10-12-7)5-3-4-11-6(1)5/h1-8H;1-4H
InChIKeyVKLMUJFAURYPSD-UHFFFAOYSA-N
MW376.53 g/mol
LogP6.96
Rot. Bonds

About dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole

dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole (PubChem CID 161323465) has the molecular formula C20H12N2S3 and a molecular weight of 376.53 g/mol. Its IUPAC name is dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole.

Molecular Properties

Compound Namedibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole
PubChem CID161323465
Molecular FormulaC20H12N2S3
Molecular Weight376.53 g/mol
Exact Mass376.02
IUPAC Namedibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole
SMILESc1cc2c(ccc3snnc32)s1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.C8H4N2S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-7-8(9-10-12-7)5-3-4-11-6(1)5/h1-8H;1-4H
InChIKeyVKLMUJFAURYPSD-UHFFFAOYSA-N
XLogP6.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphtho[2,1-e][1,2,3]benzothiadiazole
CID 88532442
dibenzothiophene;methane
CID 162233710
benzene;benzo[e][1]benzothiole
CID 174845416
bis(dibenzothiophene);ethane
CID 143921746
thieno[3,2-b][1]benzothiole
CID 605457
dibenzothiophene;formaldehyde
CID 20556925
benzo[e][1]benzothiole;pyrimidine
CID 175481177
[1]benzothiolo[3,2-b]pyridine
CID 174218515
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole?
The IUPAC name of dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole (CID 161323465) is dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole.
What is the SMILES notation for dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole?
The canonical SMILES for dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole is c1cc2c(ccc3snnc32)s1.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole?
The InChIKey is VKLMUJFAURYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.C8H4N2S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-7-8(9-10-12-7)5-3-4-11-6(1)5/h1-8H;1-4H.
What are the key properties of dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole?
dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole has a molecular weight of 376.53 g/mol, XLogP of 6.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole is sourced from PubChem (CID 161323465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).