5-(2-iodophenyl)-2-sulfanyltetrazole

C7H5IN4S — CID 68628595

IUPAC5-(2-iodophenyl)-2-sulfanyltetrazole
SMILESSn1nnc(-c2ccccc2I)n1
InChIInChI=1S/C7H5IN4S/c8-6-4-2-1-3-5(6)7-9-11-12(13)10-7/h1-4,13H
InChIKeyWIAIQFICQRDLDP-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.64
Rot. Bonds1

About 5-(2-iodophenyl)-2-sulfanyltetrazole

5-(2-iodophenyl)-2-sulfanyltetrazole (PubChem CID 68628595) has the molecular formula C7H5IN4S and a molecular weight of 304.12 g/mol. Its IUPAC name is 5-(2-iodophenyl)-2-sulfanyltetrazole.

Molecular Properties

Compound Name5-(2-iodophenyl)-2-sulfanyltetrazole
PubChem CID68628595
Molecular FormulaC7H5IN4S
Molecular Weight304.12 g/mol
Exact Mass303.93
IUPAC Name5-(2-iodophenyl)-2-sulfanyltetrazole
SMILESSn1nnc(-c2ccccc2I)n1
InChIInChI=1S/C7H5IN4S/c8-6-4-2-1-3-5(6)7-9-11-12(13)10-7/h1-4,13H
InChIKeyWIAIQFICQRDLDP-UHFFFAOYSA-N
XLogP1.64
TPSA43.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iodophenyl)-2-sulfanyltetrazole?
The IUPAC name of 5-(2-iodophenyl)-2-sulfanyltetrazole (CID 68628595) is 5-(2-iodophenyl)-2-sulfanyltetrazole.
What is the SMILES notation for 5-(2-iodophenyl)-2-sulfanyltetrazole?
The canonical SMILES for 5-(2-iodophenyl)-2-sulfanyltetrazole is Sn1nnc(-c2ccccc2I)n1.
What is the InChIKey of 5-(2-iodophenyl)-2-sulfanyltetrazole?
The InChIKey is WIAIQFICQRDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4S/c8-6-4-2-1-3-5(6)7-9-11-12(13)10-7/h1-4,13H.
What are the key properties of 5-(2-iodophenyl)-2-sulfanyltetrazole?
5-(2-iodophenyl)-2-sulfanyltetrazole has a molecular weight of 304.12 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-2-sulfanyltetrazole is sourced from PubChem (CID 68628595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).