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128351-85-9 | 1H-Indole, 4,6-dibromo-2,3-bis(methylthio)-
CAS No: 128351-85-9 Catalog No: AG000XZX MDL No:
Product Description
Catalog Number:
AG000XZX
Chemical Name:
1H-Indole, 4,6-dibromo-2,3-bis(methylthio)-
CAS Number:
128351-85-9
Molecular Formula:
C10H9Br2NS2
Molecular Weight:
367.1232
IUPAC Name:
4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole
InChI:
InChI=1S/C10H9Br2NS2/c1-14-9-8-6(12)3-5(11)4-7(8)13-10(9)15-2/h3-4,13H,1-2H3
InChI Key:
VFRWRXMTBJUTRK-UHFFFAOYSA-N
SMILES:
CSc1[nH]c2c(c1SC)c(Br)cc(c2)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.852g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.117g/mol
Monoisotopic Mass:
364.854g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Sulfur-containing polybromoindoles from the Formosan red alga Laurencia brongniartii. | Journal of natural products 20050501 |
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