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125736-68-7 | 2H-Thiazolo[5,4-h][1]benzazepine (9CI)
CAS No: 125736-68-7 Catalog No: AG000OKM MDL No:
Product Description
Catalog Number:
AG000OKM
Chemical Name:
2H-Thiazolo[5,4-h][1]benzazepine (9CI)
CAS Number:
125736-68-7
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
IUPAC Name:
2H-[1,3]thiazolo[5,4-h][1]benzazepine
InChI:
InChI=1S/C11H8N2S/c1-2-4-12-9-6-10-11(14-7-13-10)5-8(9)3-1/h1-6H,7H2
InChI Key:
NCSQILZJYOAQKJ-UHFFFAOYSA-N
SMILES:
C1=CC=c2c(N=C1)cc1=NCSc1c2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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