(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite

C10H7BrINOS — CID 146633603

IUPAC(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite
SMILESN#CC1(OSI)CCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrINOS/c11-8-1-2-9-7(5-8)3-4-10(9,6-13)14-15-12/h1-2,5H,3-4H2
InChIKeyXVGAZFCNXJYUIU-UHFFFAOYSA-N
MW396.05 g/mol
LogP4.13
Rot. Bonds2

About (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite

(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite (PubChem CID 146633603) has the molecular formula C10H7BrINOS and a molecular weight of 396.05 g/mol. Its IUPAC name is (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite.

Molecular Properties

Compound Name(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite
PubChem CID146633603
Molecular FormulaC10H7BrINOS
Molecular Weight396.05 g/mol
Exact Mass394.85
IUPAC Name(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite
SMILESN#CC1(OSI)CCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrINOS/c11-8-1-2-9-7(5-8)3-4-10(9,6-13)14-15-12/h1-2,5H,3-4H2
InChIKeyXVGAZFCNXJYUIU-UHFFFAOYSA-N
XLogP4.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.05
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite
CID 143203282
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile
CID 174509333
5-bromo-1-isocyanato-2,3-dihydroindene-1-carbonitrile
CID 82884243
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
(4S)-7-bromo-4-trimethylsilyloxy-2,3-dihydrochromene-4-carbonitrile
CID 124674921
5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
CID 107140447
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The IUPAC name of (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite (CID 146633603) is (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite.
What is the SMILES notation for (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The canonical SMILES for (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite is N#CC1(OSI)CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The InChIKey is XVGAZFCNXJYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrINOS/c11-8-1-2-9-7(5-8)3-4-10(9,6-13)14-15-12/h1-2,5H,3-4H2.
What are the key properties of (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite has a molecular weight of 396.05 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite is sourced from PubChem (CID 146633603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).