5-(2-iodothiophen-3-yl)-2-methyltetrazole

C6H5IN4S — CID 59355822

IUPAC5-(2-iodothiophen-3-yl)-2-methyltetrazole
SMILESCn1nnc(-c2ccsc2I)n1
InChIInChI=1S/C6H5IN4S/c1-11-9-6(8-10-11)4-2-3-12-5(4)7/h2-3H,1H3
InChIKeyNSFGJGBTPAIGGY-UHFFFAOYSA-N
MW292.11 g/mol
LogP1.54
Rot. Bonds1

About 5-(2-iodothiophen-3-yl)-2-methyltetrazole

5-(2-iodothiophen-3-yl)-2-methyltetrazole (PubChem CID 59355822) has the molecular formula C6H5IN4S and a molecular weight of 292.11 g/mol. Its IUPAC name is 5-(2-iodothiophen-3-yl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(2-iodothiophen-3-yl)-2-methyltetrazole
PubChem CID59355822
Molecular FormulaC6H5IN4S
Molecular Weight292.11 g/mol
Exact Mass291.93
IUPAC Name5-(2-iodothiophen-3-yl)-2-methyltetrazole
SMILESCn1nnc(-c2ccsc2I)n1
InChIInChI=1S/C6H5IN4S/c1-11-9-6(8-10-11)4-2-3-12-5(4)7/h2-3H,1H3
InChIKeyNSFGJGBTPAIGGY-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iodothiophen-3-yl)-2-methyltetrazole?
The IUPAC name of 5-(2-iodothiophen-3-yl)-2-methyltetrazole (CID 59355822) is 5-(2-iodothiophen-3-yl)-2-methyltetrazole.
What is the SMILES notation for 5-(2-iodothiophen-3-yl)-2-methyltetrazole?
The canonical SMILES for 5-(2-iodothiophen-3-yl)-2-methyltetrazole is Cn1nnc(-c2ccsc2I)n1.
What is the InChIKey of 5-(2-iodothiophen-3-yl)-2-methyltetrazole?
The InChIKey is NSFGJGBTPAIGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4S/c1-11-9-6(8-10-11)4-2-3-12-5(4)7/h2-3H,1H3.
What are the key properties of 5-(2-iodothiophen-3-yl)-2-methyltetrazole?
5-(2-iodothiophen-3-yl)-2-methyltetrazole has a molecular weight of 292.11 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodothiophen-3-yl)-2-methyltetrazole is sourced from PubChem (CID 59355822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).