Itomanindole A
Basic information
- CAS
119340-95-3- Standard SMILES
CSc1c(S(C)=O)[nH]c2cc(Br)cc(Br)c12- InChIKey
RPUHYZCTFRSRAR-UHFFFAOYSA-N- Molecular formula
- C10H9Br2NOS2
- Average molar mass
- 383.1 g/mol
- Monoisotopic mass
- 380.84923
Names & identifiers
- Preferred name
- Itomanindole A
- IUPAC
- 4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
Names & synonyms
Itomanindole A119340-95-3DTXSID80326997RefChem:350316DTXCID90278110NSC6255474,6-Dibromo-2-(methylsulfinyl)-3-(methylthio)-1H-indole4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indoleCHEMBL463143NSC-625547NCI60_0079394,6-Dibromo-3-(methylthio)-1H-indol-2-yl methyl sulfoxide
Show more names
4,6-Dibromo-2-(methanesulfinyl)-3-(methylsulfanyl)-1H-indole
Database identifiers
- CAS
119340-95-3- PubChem CID
- 362040
- DTXSID
DTXSID80326997- ChEMBL
CHEMBL463143- Nikkaji
- J2.189.716G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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