[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite

C10H8BrClO2S — CID 141238875

IUPAC[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite
SMILESOC1/C(=C/Br)COc2ccc(SCl)cc21
InChIInChI=1S/C10H8BrClO2S/c11-4-6-5-14-9-2-1-7(15-12)3-8(9)10(6)13/h1-4,10,13H,5H2/b6-4+
InChIKeyCGZCOBLNBBCNFX-GQCTYLIASA-N
MW307.60 g/mol
LogP3.64
Rot. Bonds1

About [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite

[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite (PubChem CID 141238875) has the molecular formula C10H8BrClO2S and a molecular weight of 307.60 g/mol. Its IUPAC name is [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite.

Molecular Properties

Compound Name[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite
PubChem CID141238875
Molecular FormulaC10H8BrClO2S
Molecular Weight307.60 g/mol
Exact Mass305.91
IUPAC Name[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite
SMILESOC1/C(=C/Br)COc2ccc(SCl)cc21
InChIInChI=1S/C10H8BrClO2S/c11-4-6-5-14-9-2-1-7(15-12)3-8(9)10(6)13/h1-4,10,13H,5H2/b6-4+
InChIKeyCGZCOBLNBBCNFX-GQCTYLIASA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol
CID 23266649
(3-chlorosulfanyl-4-oxo-2,3-dihydrochromen-6-yl) thiohypochlorite
CID 175197941
(4-oxo-2,3-dihydrochromen-6-yl) thiohypochlorite
CID 57156379
(11S)-9-methyl-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-ol
CID 129395201
2-chloro-9H-xanthen-9-ol
CID 12734111
(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine
CID 69273188
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 6447016
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283
ethyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
CID 13456007
2-[2-[ethyl(hydroxy)amino]ethyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 10780497

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite?
The IUPAC name of [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite (CID 141238875) is [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite.
What is the SMILES notation for [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite?
The canonical SMILES for [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite is OC1/C(=C/Br)COc2ccc(SCl)cc21.
What is the InChIKey of [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite?
The InChIKey is CGZCOBLNBBCNFX-GQCTYLIASA-N. The full InChI is InChI=1S/C10H8BrClO2S/c11-4-6-5-14-9-2-1-7(15-12)3-8(9)10(6)13/h1-4,10,13H,5H2/b6-4+.
What are the key properties of [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite?
[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite has a molecular weight of 307.60 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite is sourced from PubChem (CID 141238875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).