1,3-dihydroisoindol-2-yl thiohypoiodite

C8H8INS — CID 142287542

IUPAC1,3-dihydroisoindol-2-yl thiohypoiodite
SMILESISN1Cc2ccccc2C1
InChIInChI=1S/C8H8INS/c9-11-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKeyWZMDQZZCAOMLST-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.00
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl thiohypoiodite

1,3-dihydroisoindol-2-yl thiohypoiodite (PubChem CID 142287542) has the molecular formula C8H8INS and a molecular weight of 277.13 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl thiohypoiodite.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl thiohypoiodite
PubChem CID142287542
Molecular FormulaC8H8INS
Molecular Weight277.13 g/mol
Exact Mass276.94
IUPAC Name1,3-dihydroisoindol-2-yl thiohypoiodite
SMILESISN1Cc2ccccc2C1
InChIInChI=1S/C8H8INS/c9-11-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKeyWZMDQZZCAOMLST-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl thiohypoiodite?
The IUPAC name of 1,3-dihydroisoindol-2-yl thiohypoiodite (CID 142287542) is 1,3-dihydroisoindol-2-yl thiohypoiodite.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl thiohypoiodite?
The canonical SMILES for 1,3-dihydroisoindol-2-yl thiohypoiodite is ISN1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl thiohypoiodite?
The InChIKey is WZMDQZZCAOMLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INS/c9-11-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2.
What are the key properties of 1,3-dihydroisoindol-2-yl thiohypoiodite?
1,3-dihydroisoindol-2-yl thiohypoiodite has a molecular weight of 277.13 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl thiohypoiodite is sourced from PubChem (CID 142287542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).