3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide

C7H9BrN2O2S — CID 61057040

IUPAC3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2
InChIKeyGFGDISVSWGFSKS-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.01
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide

3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 61057040) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID61057040
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2
InChIKeyGFGDISVSWGFSKS-UHFFFAOYSA-N
XLogP1.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide (CID 61057040) is 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is GFGDISVSWGFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 265.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 61057040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).