4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide

C5H6N2O2S — CID 10909828

IUPAC4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
SMILESO=S1(=O)Cc2cn[nH]c2C1
InChIInChI=1S/C5H6N2O2S/c8-10(9)2-4-1-6-7-5(4)3-10/h1H,2-3H2,(H,6,7)
InChIKeyTYWDILZJAROLBK-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.16
Rot. Bonds

About 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide

4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide (PubChem CID 10909828) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
PubChem CID10909828
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
SMILESO=S1(=O)Cc2cn[nH]c2C1
InChIInChI=1S/C5H6N2O2S/c8-10(9)2-4-1-6-7-5(4)3-10/h1H,2-3H2,(H,6,7)
InChIKeyTYWDILZJAROLBK-UHFFFAOYSA-N
XLogP-0.16
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide (CID 10909828) is 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide.
What is the SMILES notation for 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The canonical SMILES for 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide is O=S1(=O)Cc2cn[nH]c2C1.
What is the InChIKey of 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The InChIKey is TYWDILZJAROLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c8-10(9)2-4-1-6-7-5(4)3-10/h1H,2-3H2,(H,6,7).
What are the key properties of 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide has a molecular weight of 158.18 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide is sourced from PubChem (CID 10909828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).