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19546-68-0 | Imidazo[1,5,4-de][1,4]benzothiazine(8CI,9CI)
CAS No: 19546-68-0 Catalog No: AG00748N MDL No:
Product Description
Catalog Number:
AG00748N
Chemical Name:
Imidazo[1,5,4-de][1,4]benzothiazine(8CI,9CI)
CAS Number:
19546-68-0
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
9-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene
InChI:
InChI=1S/C9H6N2S/c1-2-7-9-8(3-1)12-5-4-11(9)6-10-7/h1-6H
InChI Key:
UGNJCAKPEGSWRK-UHFFFAOYSA-N
SMILES:
c1cc2ncn3c2c(c1)scc3
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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