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13394-21-3 | 8H-Thiopyrano[3,2-g]benzothiazole
CAS No: 13394-21-3 Catalog No: AG00806Z MDL No:
Product Description
Catalog Number:
AG00806Z
Chemical Name:
8H-Thiopyrano[3,2-g]benzothiazole
CAS Number:
13394-21-3
Molecular Formula:
C10H7NS2
Molecular Weight:
205.2993
IUPAC Name:
8H-thiopyrano[3,2-g][1,3]benzothiazole
InChI:
InChI=1S/C10H7NS2/c1-2-7-3-4-8-10(13-6-11-8)9(7)12-5-1/h1-4,6H,5H2
InChI Key:
LEBFVNLFJAAUEE-UHFFFAOYSA-N
SMILES:
C1Sc2c(C=C1)ccc1c2scn1
Properties
Complexity:
229
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:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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