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139259-99-7 | Indolizine, 1,2,3-tris[(1-methylethyl)thio]-
CAS No: 139259-99-7 Catalog No: AG001AKG MDL No:
Product Description
Catalog Number:
AG001AKG
Chemical Name:
Indolizine, 1,2,3-tris[(1-methylethyl)thio]-
CAS Number:
139259-99-7
Molecular Formula:
C17H25NS3
Molecular Weight:
339.5821
IUPAC Name:
1,2,3-tris(propan-2-ylsulfanyl)indolizine
InChI:
InChI=1S/C17H25NS3/c1-11(2)19-15-14-9-7-8-10-18(14)17(21-13(5)6)16(15)20-12(3)4/h7-13H,1-6H3
InChI Key:
SLDSMCNJAIQIOW-UHFFFAOYSA-N
SMILES:
CC(Sc1n2ccccc2c(c1SC(C)C)SC(C)C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.574g/mol
Monoisotopic Mass:
339.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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