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Home > Indoles and Oxindole > 1416438-63-5
1416438-63-5 | 1H-Indole, 3-(methylthio)-5-nitro-
CAS No: 1416438-63-5 Catalog No: AG001GSK MDL No:MFCD22690532
Product Description
Catalog Number:
AG001GSK
Chemical Name:
1H-Indole, 3-(methylthio)-5-nitro-
CAS Number:
1416438-63-5
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD22690532
IUPAC Name:
3-methylsulfanyl-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2S/c1-14-9-5-10-8-3-2-6(11(12)13)4-7(8)9/h2-5,10H,1H3
InChI Key:
VUNNQJOOWSYFPU-UHFFFAOYSA-N
SMILES:
CSc1c[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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