5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

C10H8BrNOS2 — CID 1262495

IUPAC5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12SCCS2
InChIInChI=1S/C10H8BrNOS2/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyJGBSZUYUJKUZJU-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.03
Rot. Bonds

About 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (PubChem CID 1262495) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
PubChem CID1262495
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12SCCS2
InChIInChI=1S/C10H8BrNOS2/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyJGBSZUYUJKUZJU-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5'-nitrospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 2966150
(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one
CID 26385170
(2R)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one
CID 26385167
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
CID 15359798
CID 15359798
(3'S,5'S)-5-bromo-3',5'-diphenylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 57379164
5-bromo-3-hydroxy-3-prop-2-enyl-1H-indol-2-one
CID 12982620
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 42597824
(3S)-5-bromo-3-hydroxy-3-(1H-pyrrol-2-yl)-1H-indol-2-one
CID 125477104
5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one
CID 155565010

Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (CID 1262495) is 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(Br)cc2C12SCCS2.
What is the InChIKey of 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The InChIKey is JGBSZUYUJKUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one has a molecular weight of 302.22 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 1262495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).