[1]benzothiolo[2,3-d]pyridazine

C10H6N2S — CID 11367440

IUPAC[1]benzothiolo[2,3-d]pyridazine
SMILESc1ccc2c(c1)sc1cnncc12
InChIInChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-6H
InChIKeyXMJDYEBNHWWSGL-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.84
Rot. Bonds

About [1]benzothiolo[2,3-d]pyridazine

[1]benzothiolo[2,3-d]pyridazine (PubChem CID 11367440) has the molecular formula C10H6N2S and a molecular weight of 186.24 g/mol. Its IUPAC name is [1]benzothiolo[2,3-d]pyridazine.

Molecular Properties

Compound Name[1]benzothiolo[2,3-d]pyridazine
PubChem CID11367440
Molecular FormulaC10H6N2S
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Name[1]benzothiolo[2,3-d]pyridazine
SMILESc1ccc2c(c1)sc1cnncc12
InChIInChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-6H
InChIKeyXMJDYEBNHWWSGL-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-d]pyridazine?
The IUPAC name of [1]benzothiolo[2,3-d]pyridazine (CID 11367440) is [1]benzothiolo[2,3-d]pyridazine.
What is the SMILES notation for [1]benzothiolo[2,3-d]pyridazine?
The canonical SMILES for [1]benzothiolo[2,3-d]pyridazine is c1ccc2c(c1)sc1cnncc12.
What is the InChIKey of [1]benzothiolo[2,3-d]pyridazine?
The InChIKey is XMJDYEBNHWWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-6H.
What are the key properties of [1]benzothiolo[2,3-d]pyridazine?
[1]benzothiolo[2,3-d]pyridazine has a molecular weight of 186.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-d]pyridazine is sourced from PubChem (CID 11367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).