3-methylthieno[2,3-d]pyrazol-1-ide;tungsten

C6H5N2SW- — CID 59121840

IUPAC3-methylthieno[2,3-d]pyrazol-1-ide;tungsten
SMILESCc1n[n-]c2ccsc12.[W]
InChIInChI=1S/C6H5N2S.W/c1-4-6-5(8-7-4)2-3-9-6;/h2-3H,1H3;/q-1;
InChIKeyYPKNSTGXWORLLH-UHFFFAOYSA-N
MW321.03 g/mol
LogP1.56
Rot. Bonds

About 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten

3-methylthieno[2,3-d]pyrazol-1-ide;tungsten (PubChem CID 59121840) has the molecular formula C6H5N2SW- and a molecular weight of 321.03 g/mol. Its IUPAC name is 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten.

Molecular Properties

Compound Name3-methylthieno[2,3-d]pyrazol-1-ide;tungsten
PubChem CID59121840
Molecular FormulaC6H5N2SW-
Molecular Weight321.03 g/mol
Exact Mass320.97
IUPAC Name3-methylthieno[2,3-d]pyrazol-1-ide;tungsten
SMILESCc1n[n-]c2ccsc12.[W]
InChIInChI=1S/C6H5N2S.W/c1-4-6-5(8-7-4)2-3-9-6;/h2-3H,1H3;/q-1;
InChIKeyYPKNSTGXWORLLH-UHFFFAOYSA-N
XLogP1.56
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten?
The IUPAC name of 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten (CID 59121840) is 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten.
What is the SMILES notation for 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten?
The canonical SMILES for 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten is Cc1n[n-]c2ccsc12.[W].
What is the InChIKey of 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten?
The InChIKey is YPKNSTGXWORLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2S.W/c1-4-6-5(8-7-4)2-3-9-6;/h2-3H,1H3;/q-1;.
What are the key properties of 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten?
3-methylthieno[2,3-d]pyrazol-1-ide;tungsten has a molecular weight of 321.03 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[2,3-d]pyrazol-1-ide;tungsten is sourced from PubChem (CID 59121840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).