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119340-95-3 | 1H-Indole, 4,6-dibromo-2-(methylsulfinyl)-3-(methylthio)-, (+)-
CAS No: 119340-95-3 Catalog No: AG000IN4 MDL No:
Product Description
Catalog Number:
AG000IN4
Chemical Name:
1H-Indole, 4,6-dibromo-2-(methylsulfinyl)-3-(methylthio)-, (+)-
CAS Number:
119340-95-3
Molecular Formula:
C10H9Br2NOS2
Molecular Weight:
383.1226
IUPAC Name:
4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
InChI:
InChI=1S/C10H9Br2NOS2/c1-15-9-8-6(12)3-5(11)4-7(8)13-10(9)16(2)14/h3-4,13H,1-2H3
InChI Key:
RPUHYZCTFRSRAR-UHFFFAOYSA-N
SMILES:
CSc1c([nH]c2c1c(Br)cc(c2)Br)S(=O)C
NSC Number:
625547
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.847g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.116g/mol
Monoisotopic Mass:
380.849g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Sulfur-containing polybromoindoles from the Formosan red alga Laurencia brongniartii. | Journal of natural products 20050501 |
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