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126084-27-3 | 4H-Thiazolo[5,4-f][1,3]benzothiazine (9CI)
CAS No: 126084-27-3 Catalog No: AG000RF8 MDL No:
Product Description
Catalog Number:
AG000RF8
Chemical Name:
4H-Thiazolo[5,4-f][1,3]benzothiazine (9CI)
CAS Number:
126084-27-3
Molecular Formula:
C9H6N2S2
Molecular Weight:
206.2873
IUPAC Name:
4H-[1,3]thiazolo[5,4-f][1,3]benzothiazine
InChI:
InChI=1S/C9H6N2S2/c1-2-8-6(3-10-4-12-8)9-7(1)11-5-13-9/h2-5H,1H2
InChI Key:
JQQPWQHAWZGUJG-UHFFFAOYSA-N
SMILES:
N1=CSC2=CCc3c(C2=C1)scn3
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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