naphtho[2,1-e][1,2,3]benzothiadiazole

C14H8N2S — CID 88532442

IUPACnaphtho[2,1-e][1,2,3]benzothiadiazole
SMILESc1ccc2c(c1)ccc1c2ccc2snnc21
InChIInChI=1S/C14H8N2S/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-16-17-13/h1-8H
InChIKeyLYHIAHKBRLBSPV-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.00
Rot. Bonds

About naphtho[2,1-e][1,2,3]benzothiadiazole

naphtho[2,1-e][1,2,3]benzothiadiazole (PubChem CID 88532442) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is naphtho[2,1-e][1,2,3]benzothiadiazole.

Molecular Properties

Compound Namenaphtho[2,1-e][1,2,3]benzothiadiazole
PubChem CID88532442
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Namenaphtho[2,1-e][1,2,3]benzothiadiazole
SMILESc1ccc2c(c1)ccc1c2ccc2snnc21
InChIInChI=1S/C14H8N2S/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-16-17-13/h1-8H
InChIKeyLYHIAHKBRLBSPV-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Naphthothiadiazole
CID 58800886
Diphenylbenzothiadiazole
CID 89619036
9-Chloronaphthothiadiazole
CID 129785482
9-Bromonaphthothiadiazole
CID 129785492
9-Aminonaphthothiadiazole
CID 129787998
6-Aminonaphthothiadiazole
CID 129788040
Aminonaphthothiadiazole
CID 129788163
Diselenophenylbenzothiadiazole
CID 129834446
4-[2-(Benzothiadiazol-4-yl)-9,9-dihexyl-9h-fluoren-7-yl]styrene
CID 129851944
3-Phenylbenzo[f][1,2]benzothiazole
CID 132566230
Diethynylbenzothiadiazole
CID 132993019
4,7-Diphenylbenzo thiadiazole
CID 168679919

Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-e][1,2,3]benzothiadiazole?
The IUPAC name of naphtho[2,1-e][1,2,3]benzothiadiazole (CID 88532442) is naphtho[2,1-e][1,2,3]benzothiadiazole.
What is the SMILES notation for naphtho[2,1-e][1,2,3]benzothiadiazole?
The canonical SMILES for naphtho[2,1-e][1,2,3]benzothiadiazole is c1ccc2c(c1)ccc1c2ccc2snnc21.
What is the InChIKey of naphtho[2,1-e][1,2,3]benzothiadiazole?
The InChIKey is LYHIAHKBRLBSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-16-17-13/h1-8H.
What are the key properties of naphtho[2,1-e][1,2,3]benzothiadiazole?
naphtho[2,1-e][1,2,3]benzothiadiazole has a molecular weight of 236.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-e][1,2,3]benzothiadiazole is sourced from PubChem (CID 88532442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).