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3714-00-9 | 1H-CYCLOPENTA[5,6]NAPHTHO[2,3-D]THIAZOLE
CAS No: 3714-00-9 Catalog No: AG007AGO MDL No:
Product Description
Catalog Number:
AG007AGO
Chemical Name:
1H-CYCLOPENTA[5,6]NAPHTHO[2,3-D]THIAZOLE
CAS Number:
3714-00-9
Molecular Formula:
C14H9NS
Molecular Weight:
223.2930
IUPAC Name:
1H-indeno[5,4-f][1,3]benzothiazole
InChI:
InChI=1S/C14H9NS/c1-2-9-4-5-10-6-13-14(16-8-15-13)7-12(10)11(9)3-1/h1-2,4-8H,3H2
InChI Key:
CZPRVHVBTHJBFF-UHFFFAOYSA-N
SMILES:
C1=Cc2c(C1)c1cc3scnc3cc1cc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.293g/mol
Monoisotopic Mass:
223.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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