6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide

C5H6N2O2S2 — CID 171989451

IUPAC6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide
SMILESO=S1(=O)CCc2nnsc2C1
InChIInChI=1S/C5H6N2O2S2/c8-11(9)2-1-4-5(3-11)10-7-6-4/h1-3H2
InChIKeyRGXHKSDNFZHTFD-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.01
Rot. Bonds

About 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide

6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide (PubChem CID 171989451) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide.

Molecular Properties

Compound Name6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide
PubChem CID171989451
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide
SMILESO=S1(=O)CCc2nnsc2C1
InChIInChI=1S/C5H6N2O2S2/c8-11(9)2-1-4-5(3-11)10-7-6-4/h1-3H2
InChIKeyRGXHKSDNFZHTFD-UHFFFAOYSA-N
XLogP0.01
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide?
The IUPAC name of 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide (CID 171989451) is 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide.
What is the SMILES notation for 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide?
The canonical SMILES for 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide is O=S1(=O)CCc2nnsc2C1.
What is the InChIKey of 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide?
The InChIKey is RGXHKSDNFZHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c8-11(9)2-1-4-5(3-11)10-7-6-4/h1-3H2.
What are the key properties of 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide?
6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide has a molecular weight of 190.25 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thiopyrano[4,3-d]thiadiazole 5,5-dioxide is sourced from PubChem (CID 171989451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).