1,4-dihydrothiochromeno[3,4-d]pyrazole

C10H8N2S — CID 12686522

IUPAC1,4-dihydrothiochromeno[3,4-d]pyrazole
SMILESc1ccc2c(c1)SCc1cn[nH]c1-2
InChIInChI=1S/C10H8N2S/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12)
InChIKeyTVPJODVFKPLXPS-UHFFFAOYSA-N
MW188.26 g/mol
LogP2.68
Rot. Bonds

About 1,4-dihydrothiochromeno[3,4-d]pyrazole

1,4-dihydrothiochromeno[3,4-d]pyrazole (PubChem CID 12686522) has the molecular formula C10H8N2S and a molecular weight of 188.26 g/mol. Its IUPAC name is 1,4-dihydrothiochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1,4-dihydrothiochromeno[3,4-d]pyrazole
PubChem CID12686522
Molecular FormulaC10H8N2S
Molecular Weight188.26 g/mol
Exact Mass188.04
IUPAC Name1,4-dihydrothiochromeno[3,4-d]pyrazole
SMILESc1ccc2c(c1)SCc1cn[nH]c1-2
InChIInChI=1S/C10H8N2S/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12)
InChIKeyTVPJODVFKPLXPS-UHFFFAOYSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrothiochromeno[3,4-d]pyrazole?
The IUPAC name of 1,4-dihydrothiochromeno[3,4-d]pyrazole (CID 12686522) is 1,4-dihydrothiochromeno[3,4-d]pyrazole.
What is the SMILES notation for 1,4-dihydrothiochromeno[3,4-d]pyrazole?
The canonical SMILES for 1,4-dihydrothiochromeno[3,4-d]pyrazole is c1ccc2c(c1)SCc1cn[nH]c1-2.
What is the InChIKey of 1,4-dihydrothiochromeno[3,4-d]pyrazole?
The InChIKey is TVPJODVFKPLXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12).
What are the key properties of 1,4-dihydrothiochromeno[3,4-d]pyrazole?
1,4-dihydrothiochromeno[3,4-d]pyrazole has a molecular weight of 188.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrothiochromeno[3,4-d]pyrazole is sourced from PubChem (CID 12686522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).