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Home > Indoles and Oxindole > 88038-34-0
88038-34-0 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(1H-indol-3-yl)-
CAS No: 88038-34-0 Catalog No: AG004J6Y MDL No:
Product Description
Catalog Number:
AG004J6Y
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(1H-indol-3-yl)-
CAS Number:
88038-34-0
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
IUPAC Name:
5-(1H-indol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C11H9N3OS/c15-11-14-13-10(6-16-11)8-5-12-9-4-2-1-3-7(8)9/h1-5,12H,6H2,(H,14,15)
InChI Key:
GIKNTSJNCXHMKI-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1c[nH]c2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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