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231632-03-4

231632-03-4 | 5,9-Methano-2H-thiazolo[4,5-h][3]benzazepine (9CI)

CAS No: 231632-03-4 Catalog No: AG002MF0 MDL No:

Product Description

Catalog Number:
AG002MF0
Chemical Name:
5,9-Methano-2H-thiazolo[4,5-h][3]benzazepine (9CI)
CAS Number:
231632-03-4
Molecular Formula:
C12H8N2S
Molecular Weight:
212.2703
IUPAC Name:
5-thia-7,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-1,3,7,9,11,13-hexaene
InChI:
InChI=1S/C12H8N2S/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-5H,1,6H2
InChI Key:
ABNXNNBXHNTJCD-UHFFFAOYSA-N
SMILES:
N1=CC2=c3c(C(=C1)C2)cc1=NCSc1c3

Properties

Complexity:
556  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.27g/mol
Monoisotopic Mass:
212.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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