4-chloro-7-methylthieno[2,3-d]pyridazine

C7H5ClN2S — CID 170013375

IUPAC4-chloro-7-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(Cl)c2ccsc12
InChIInChI=1S/C7H5ClN2S/c1-4-6-5(2-3-11-6)7(8)10-9-4/h2-3H,1H3
InChIKeyCBSHRYJTUARAJV-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.65
Rot. Bonds

About 4-chloro-7-methylthieno[2,3-d]pyridazine

4-chloro-7-methylthieno[2,3-d]pyridazine (PubChem CID 170013375) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-chloro-7-methylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-methylthieno[2,3-d]pyridazine
PubChem CID170013375
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name4-chloro-7-methylthieno[2,3-d]pyridazine
SMILESCc1nnc(Cl)c2ccsc12
InChIInChI=1S/C7H5ClN2S/c1-4-6-5(2-3-11-6)7(8)10-9-4/h2-3H,1H3
InChIKeyCBSHRYJTUARAJV-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methylthieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-7-methylthieno[2,3-d]pyridazine (CID 170013375) is 4-chloro-7-methylthieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-7-methylthieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-7-methylthieno[2,3-d]pyridazine is Cc1nnc(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-7-methylthieno[2,3-d]pyridazine?
The InChIKey is CBSHRYJTUARAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c1-4-6-5(2-3-11-6)7(8)10-9-4/h2-3H,1H3.
What are the key properties of 4-chloro-7-methylthieno[2,3-d]pyridazine?
4-chloro-7-methylthieno[2,3-d]pyridazine has a molecular weight of 184.65 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methylthieno[2,3-d]pyridazine is sourced from PubChem (CID 170013375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).