1-iodo-3-methylthieno[3,2-d]pyrazole

C6H5IN2S — CID 130319733

IUPAC1-iodo-3-methylthieno[3,2-d]pyrazole
SMILESCc1nn(I)c2sccc12
InChIInChI=1S/C6H5IN2S/c1-4-5-2-3-10-6(5)9(7)8-4/h2-3H,1H3
InChIKeyVIBDISZYWVIYGE-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.60
Rot. Bonds

About 1-iodo-3-methylthieno[3,2-d]pyrazole

1-iodo-3-methylthieno[3,2-d]pyrazole (PubChem CID 130319733) has the molecular formula C6H5IN2S and a molecular weight of 264.09 g/mol. Its IUPAC name is 1-iodo-3-methylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name1-iodo-3-methylthieno[3,2-d]pyrazole
PubChem CID130319733
Molecular FormulaC6H5IN2S
Molecular Weight264.09 g/mol
Exact Mass263.92
IUPAC Name1-iodo-3-methylthieno[3,2-d]pyrazole
SMILESCc1nn(I)c2sccc12
InChIInChI=1S/C6H5IN2S/c1-4-5-2-3-10-6(5)9(7)8-4/h2-3H,1H3
InChIKeyVIBDISZYWVIYGE-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methylthieno[3,2-d]pyrazole?
The IUPAC name of 1-iodo-3-methylthieno[3,2-d]pyrazole (CID 130319733) is 1-iodo-3-methylthieno[3,2-d]pyrazole.
What is the SMILES notation for 1-iodo-3-methylthieno[3,2-d]pyrazole?
The canonical SMILES for 1-iodo-3-methylthieno[3,2-d]pyrazole is Cc1nn(I)c2sccc12.
What is the InChIKey of 1-iodo-3-methylthieno[3,2-d]pyrazole?
The InChIKey is VIBDISZYWVIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2S/c1-4-5-2-3-10-6(5)9(7)8-4/h2-3H,1H3.
What are the key properties of 1-iodo-3-methylthieno[3,2-d]pyrazole?
1-iodo-3-methylthieno[3,2-d]pyrazole has a molecular weight of 264.09 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylthieno[3,2-d]pyrazole is sourced from PubChem (CID 130319733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).