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69504-57-0 | 1H-Indole, 7-(1,3-dithian-2-yl)-1-methyl-
CAS No: 69504-57-0 Catalog No: AG005L5Y MDL No:
Product Description
Catalog Number:
AG005L5Y
Chemical Name:
1H-Indole, 7-(1,3-dithian-2-yl)-1-methyl-
CAS Number:
69504-57-0
Molecular Formula:
C13H15NS2
Molecular Weight:
249.3949
IUPAC Name:
7-(1,3-dithian-2-yl)-1-methylindole
InChI:
InChI=1S/C13H15NS2/c1-14-7-6-10-4-2-5-11(12(10)14)13-15-8-3-9-16-13/h2,4-7,13H,3,8-9H2,1H3
InChI Key:
FBTBIRHZVMNLMX-UHFFFAOYSA-N
SMILES:
Cn1ccc2c1c(ccc2)C1SCCCS1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.39g/mol
Monoisotopic Mass:
249.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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