(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite

C10H9BrClNOS — CID 145018684

IUPAC(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
SMILESCC(=O)N1CCc2cc(Br)c(SCl)cc21
InChIInChI=1S/C10H9BrClNOS/c1-6(14)13-3-2-7-4-8(11)10(15-12)5-9(7)13/h4-5H,2-3H2,1H3
InChIKeyMJDFTEJVSJIMHA-UHFFFAOYSA-N
MW306.61 g/mol
LogP3.60
Rot. Bonds1

About (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite

(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite (PubChem CID 145018684) has the molecular formula C10H9BrClNOS and a molecular weight of 306.61 g/mol. Its IUPAC name is (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite.

Molecular Properties

Compound Name(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
PubChem CID145018684
Molecular FormulaC10H9BrClNOS
Molecular Weight306.61 g/mol
Exact Mass304.93
IUPAC Name(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
SMILESCC(=O)N1CCc2cc(Br)c(SCl)cc21
InChIInChI=1S/C10H9BrClNOS/c1-6(14)13-3-2-7-4-8(11)10(15-12)5-9(7)13/h4-5H,2-3H2,1H3
InChIKeyMJDFTEJVSJIMHA-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
CID 83154759
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-3-methylpentan-1-one
CID 114874017
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
CID 22711826
1-[6-bromo-7-(chloromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 43164780
1-[6-bromo-5-(difluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;1-(6-bromo-5-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 67591513

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite?
The IUPAC name of (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite (CID 145018684) is (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite.
What is the SMILES notation for (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite?
The canonical SMILES for (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite is CC(=O)N1CCc2cc(Br)c(SCl)cc21.
What is the InChIKey of (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite?
The InChIKey is MJDFTEJVSJIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNOS/c1-6(14)13-3-2-7-4-8(11)10(15-12)5-9(7)13/h4-5H,2-3H2,1H3.
What are the key properties of (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite?
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite has a molecular weight of 306.61 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite is sourced from PubChem (CID 145018684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).