thiopyrano[3,2-c]pyrazole

C6H4N2S — CID 70600641

IUPACthiopyrano[3,2-c]pyrazole
SMILESc1csc2cnnc-2c1
InChIInChI=1S/C6H4N2S/c1-2-5-6(9-3-1)4-7-8-5/h1-4H
InChIKeyBWOHYFAVHCXVGN-UHFFFAOYSA-N
MW136.18 g/mol
LogP1.64
Rot. Bonds

About thiopyrano[3,2-c]pyrazole

thiopyrano[3,2-c]pyrazole (PubChem CID 70600641) has the molecular formula C6H4N2S and a molecular weight of 136.18 g/mol. Its IUPAC name is thiopyrano[3,2-c]pyrazole.

Molecular Properties

Compound Namethiopyrano[3,2-c]pyrazole
PubChem CID70600641
Molecular FormulaC6H4N2S
Molecular Weight136.18 g/mol
Exact Mass136.01
IUPAC Namethiopyrano[3,2-c]pyrazole
SMILESc1csc2cnnc-2c1
InChIInChI=1S/C6H4N2S/c1-2-5-6(9-3-1)4-7-8-5/h1-4H
InChIKeyBWOHYFAVHCXVGN-UHFFFAOYSA-N
XLogP1.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiopyrano[3,2-c]pyrazole?
The IUPAC name of thiopyrano[3,2-c]pyrazole (CID 70600641) is thiopyrano[3,2-c]pyrazole.
What is the SMILES notation for thiopyrano[3,2-c]pyrazole?
The canonical SMILES for thiopyrano[3,2-c]pyrazole is c1csc2cnnc-2c1.
What is the InChIKey of thiopyrano[3,2-c]pyrazole?
The InChIKey is BWOHYFAVHCXVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S/c1-2-5-6(9-3-1)4-7-8-5/h1-4H.
What are the key properties of thiopyrano[3,2-c]pyrazole?
thiopyrano[3,2-c]pyrazole has a molecular weight of 136.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiopyrano[3,2-c]pyrazole is sourced from PubChem (CID 70600641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).