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Home > Indoles and Oxindole > 918504-17-3
918504-17-3 | 3H-1,2-Dithiole-3-thione, 5-(1H-indol-2-yl)-
CAS No: 918504-17-3 Catalog No: AG006DNT MDL No:
Product Description
Catalog Number:
AG006DNT
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(1H-indol-2-yl)-
CAS Number:
918504-17-3
Molecular Formula:
C11H7NS3
Molecular Weight:
249.3750
IUPAC Name:
5-(1H-indol-2-yl)dithiole-3-thione
InChI:
InChI=1S/C11H7NS3/c13-11-6-10(14-15-11)9-5-7-3-1-2-4-8(7)12-9/h1-6,12H
InChI Key:
HYPHSZCUZJYPHG-UHFFFAOYSA-N
SMILES:
S=c1ssc(c1)c1cc2c([nH]1)cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.364g/mol
Monoisotopic Mass:
248.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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