[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole

C6H3N3S3 — CID 91804052

IUPAC[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole
SMILESc1c2c(cc3nsnc13)SNS2
InChIInChI=1S/C6H3N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2,9H
InChIKeyLOOXTZDRIDLRNN-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.31
Rot. Bonds

About [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole

[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole (PubChem CID 91804052) has the molecular formula C6H3N3S3 and a molecular weight of 213.31 g/mol. Its IUPAC name is [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole.

Molecular Properties

Compound Name[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole
PubChem CID91804052
Molecular FormulaC6H3N3S3
Molecular Weight213.31 g/mol
Exact Mass212.95
IUPAC Name[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole
SMILESc1c2c(cc3nsnc13)SNS2
InChIInChI=1S/C6H3N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2,9H
InChIKeyLOOXTZDRIDLRNN-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole?
The IUPAC name of [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole (CID 91804052) is [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole.
What is the SMILES notation for [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole?
The canonical SMILES for [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole is c1c2c(cc3nsnc13)SNS2.
What is the InChIKey of [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole?
The InChIKey is LOOXTZDRIDLRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2,9H.
What are the key properties of [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole?
[1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole has a molecular weight of 213.31 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazole is sourced from PubChem (CID 91804052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).