3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide

C10H8N2O2S — CID 69090537

IUPAC3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide
SMILESCc1[nH]nc2c1S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C10H8N2O2S/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)15(10,13)14/h2-5H,1H3,(H,11,12)
InChIKeyOCWZDGIDMPPHBM-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.53
Rot. Bonds

About 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide

3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide (PubChem CID 69090537) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide.

Molecular Properties

Compound Name3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide
PubChem CID69090537
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide
SMILESCc1[nH]nc2c1S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C10H8N2O2S/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)15(10,13)14/h2-5H,1H3,(H,11,12)
InChIKeyOCWZDGIDMPPHBM-UHFFFAOYSA-N
XLogP1.53
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide?
The IUPAC name of 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide (CID 69090537) is 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide.
What is the SMILES notation for 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide?
The canonical SMILES for 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide is Cc1[nH]nc2c1S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide?
The InChIKey is OCWZDGIDMPPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)15(10,13)14/h2-5H,1H3,(H,11,12).
What are the key properties of 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide?
3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide has a molecular weight of 220.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide is sourced from PubChem (CID 69090537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).