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70374-15-1 | 3,3'(4H,4'H)-SPIROBI[2H-[1,3]THIAZINO[3,2-A]BENZIMIDAZOLE]
CAS No: 70374-15-1 Catalog No: AG005JJQ MDL No:
Product Description
Catalog Number:
AG005JJQ
Chemical Name:
3,3'(4H,4'H)-SPIROBI[2H-[1,3]THIAZINO[3,2-A]BENZIMIDAZOLE]
CAS Number:
70374-15-1
Molecular Formula:
C19H16N4S2
Molecular Weight:
364.4871
IUPAC Name:
3,3'-spirobi[2,4-dihydro-[1,3]thiazino[3,2-a]benzimidazole]
InChI:
InChI=1S/C19H16N4S2/c1-3-7-15-13(5-1)20-17-22(15)9-19(11-24-17)10-23-16-8-4-2-6-14(16)21-18(23)25-12-19/h1-8H,9-12H2
InChI Key:
MLLGDIHQWNDKMF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1CC3(CSc1n2)CSc1n(C3)c2ccccc2n1
UNII:
SV8Z7VA3FO
NSC Number:
281327
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.082g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.485g/mol
Monoisotopic Mass:
364.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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