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19540-59-1 | 4H-Cyclopenta[5,6]naphtho[2,1-d]thiazole
CAS No: 19540-59-1 Catalog No: AG007RB3 MDL No:
Product Description
Catalog Number:
AG007RB3
Chemical Name:
4H-Cyclopenta[5,6]naphtho[2,1-d]thiazole
CAS Number:
19540-59-1
Molecular Formula:
C14H9NS
Molecular Weight:
223.2930
IUPAC Name:
4H-indeno[4,5-g][1,3]benzothiazole
InChI:
InChI=1S/C14H9NS/c1-2-9-4-5-12-11(10(9)3-1)6-7-13-14(12)16-8-15-13/h1-4,6-8H,5H2
InChI Key:
JEQDBTAOXDRCDR-UHFFFAOYSA-N
SMILES:
C1=CC2=CCc3c(C2=C1)ccc1c3scn1
Properties
Complexity:
407
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:
3.6
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