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300860-20-2 | 5H-Thiopyrano[4,3-e]benzothiazole(9CI)
CAS No: 300860-20-2 Catalog No: AG007JKP MDL No:
Product Description
Catalog Number:
AG007JKP
Chemical Name:
5H-Thiopyrano[4,3-e]benzothiazole(9CI)
CAS Number:
300860-20-2
Molecular Formula:
C10H7NS2
Molecular Weight:
205.2993
IUPAC Name:
5H-thiopyrano[4,3-e][1,3]benzothiazole
InChI:
InChI=1S/C10H7NS2/c1-2-9-10(11-6-13-9)8-3-4-12-5-7(1)8/h2-6H,1H2
InChI Key:
AFWVJGAWDCDJDG-UHFFFAOYSA-N
SMILES:
C1=CC2=c3ncsc3=CCC2=CS1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.293g/mol
Monoisotopic Mass:
205.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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