3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine

C7H7ClN2S — CID 62785334

IUPAC3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine
SMILESClc1cc2c(nn1)CCSC2
InChIInChI=1S/C7H7ClN2S/c8-7-3-5-4-11-2-1-6(5)9-10-7/h3H,1-2,4H2
InChIKeyITRJWAPVBYBKEL-UHFFFAOYSA-N
MW186.67 g/mol
LogP1.92
Rot. Bonds

About 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine

3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine (PubChem CID 62785334) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine
PubChem CID62785334
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC Name3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine
SMILESClc1cc2c(nn1)CCSC2
InChIInChI=1S/C7H7ClN2S/c8-7-3-5-4-11-2-1-6(5)9-10-7/h3H,1-2,4H2
InChIKeyITRJWAPVBYBKEL-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine?
The IUPAC name of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine (CID 62785334) is 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine.
What is the SMILES notation for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine?
The canonical SMILES for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine is Clc1cc2c(nn1)CCSC2.
What is the InChIKey of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine?
The InChIKey is ITRJWAPVBYBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c8-7-3-5-4-11-2-1-6(5)9-10-7/h3H,1-2,4H2.
What are the key properties of 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine?
3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine has a molecular weight of 186.67 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine is sourced from PubChem (CID 62785334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).