1H-benzimidazol-2-yl thiohypoiodite

C7H5IN2S — CID 142014861

IUPAC1H-benzimidazol-2-yl thiohypoiodite
SMILESISc1nc2ccccc2[nH]1
InChIInChI=1S/C7H5IN2S/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKeyGHFMDQCBZWYLOC-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.01
Rot. Bonds1

About 1H-benzimidazol-2-yl thiohypoiodite

1H-benzimidazol-2-yl thiohypoiodite (PubChem CID 142014861) has the molecular formula C7H5IN2S and a molecular weight of 276.10 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl thiohypoiodite.

Molecular Properties

Compound Name1H-benzimidazol-2-yl thiohypoiodite
PubChem CID142014861
Molecular FormulaC7H5IN2S
Molecular Weight276.10 g/mol
Exact Mass275.92
IUPAC Name1H-benzimidazol-2-yl thiohypoiodite
SMILESISc1nc2ccccc2[nH]1
InChIInChI=1S/C7H5IN2S/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKeyGHFMDQCBZWYLOC-UHFFFAOYSA-N
XLogP3.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
CID 131246595
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-methyl-1H-benzimidazole
CID 11984
2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
CID 2814568
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
1H-benzimidazol-2-yl(1H-benzimidazol-2-ylsulfanyl)methanethiol
CID 123438509
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
CID 2897324

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl thiohypoiodite?
The IUPAC name of 1H-benzimidazol-2-yl thiohypoiodite (CID 142014861) is 1H-benzimidazol-2-yl thiohypoiodite.
What is the SMILES notation for 1H-benzimidazol-2-yl thiohypoiodite?
The canonical SMILES for 1H-benzimidazol-2-yl thiohypoiodite is ISc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl thiohypoiodite?
The InChIKey is GHFMDQCBZWYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2S/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10).
What are the key properties of 1H-benzimidazol-2-yl thiohypoiodite?
1H-benzimidazol-2-yl thiohypoiodite has a molecular weight of 276.10 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl thiohypoiodite is sourced from PubChem (CID 142014861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).