phenanthro[9,10-c][1,2,5]thiadiazole

C14H8N2S — CID 12948166

IUPACphenanthro[9,10-c][1,2,5]thiadiazole
SMILESc1ccc2c(c1)c1ccccc1c1nsnc21
InChIInChI=1S/C14H8N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H
InChIKeyLOSAIEJZRUIALB-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.00
Rot. Bonds

About phenanthro[9,10-c][1,2,5]thiadiazole

phenanthro[9,10-c][1,2,5]thiadiazole (PubChem CID 12948166) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is phenanthro[9,10-c][1,2,5]thiadiazole.

Molecular Properties

Compound Namephenanthro[9,10-c][1,2,5]thiadiazole
PubChem CID12948166
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Namephenanthro[9,10-c][1,2,5]thiadiazole
SMILESc1ccc2c(c1)c1ccccc1c1nsnc21
InChIInChI=1S/C14H8N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H
InChIKeyLOSAIEJZRUIALB-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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Frequently Asked Questions

What is the IUPAC name of phenanthro[9,10-c][1,2,5]thiadiazole?
The IUPAC name of phenanthro[9,10-c][1,2,5]thiadiazole (CID 12948166) is phenanthro[9,10-c][1,2,5]thiadiazole.
What is the SMILES notation for phenanthro[9,10-c][1,2,5]thiadiazole?
The canonical SMILES for phenanthro[9,10-c][1,2,5]thiadiazole is c1ccc2c(c1)c1ccccc1c1nsnc21.
What is the InChIKey of phenanthro[9,10-c][1,2,5]thiadiazole?
The InChIKey is LOSAIEJZRUIALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-17-16-14/h1-8H.
What are the key properties of phenanthro[9,10-c][1,2,5]thiadiazole?
phenanthro[9,10-c][1,2,5]thiadiazole 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 phenanthro[9,10-c][1,2,5]thiadiazole is sourced from PubChem (CID 12948166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).