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Home > Indoles and Oxindole > 115127-30-5
115127-30-5 | 1H-Indole, 2-(1,3-dithian-2-yl)-
CAS No: 115127-30-5 Catalog No: AG000GBA MDL No:
Product Description
Catalog Number:
AG000GBA
Chemical Name:
1H-Indole, 2-(1,3-dithian-2-yl)-
CAS Number:
115127-30-5
Molecular Formula:
C12H13NS2
Molecular Weight:
235.3683
IUPAC Name:
2-(1,3-dithian-2-yl)-1H-indole
InChI:
InChI=1S/C12H13NS2/c1-2-5-10-9(4-1)8-11(13-10)12-14-6-3-7-15-12/h1-2,4-5,8,12-13H,3,6-7H2
InChI Key:
QLYYEOXVDDIUMJ-UHFFFAOYSA-N
SMILES:
C1CSC(SC1)c1cc2c([nH]1)cccc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.363g/mol
Monoisotopic Mass:
235.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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