119340-97-5
AlkaPlorer ID: AK030872
Synonym: None
IUPAC Name: 4,6-dibromo-2-methylsulfanyl-3-methylsulfinyl-1H-indole
Structure
SMILES: CSC1=C(S(C)=O)C2=C(Br)C=C(Br)C=C2N1
InChI: InChI=1S/C10H9Br2NOS2/c1-15-10-9(16(2)14)8-6(12)3-5(11)4-7(8)13-10/h3-4,13H,1-2H3
InChIKey: JIIUXPPTKXBSSZ-UHFFFAOYSA-N
Reference
Itomanindoles A and B. Methylsulfinylindoles from Laurencia Brongniartii
PubChem CID: 14185855
CAS: 119340-97-5
LOTUS: LTS0003594
COCONUT: CNP0178528
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 383.13
TPSA？: 32.86
MolLogP？: 4.1522000000000014
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|