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119596-69-9 | 1H-Phenaleno[2,1-d]thiazole (9CI)
CAS No: 119596-69-9 Catalog No: AG000P8F MDL No:
Product Description
Catalog Number:
AG000P8F
Chemical Name:
1H-Phenaleno[2,1-d]thiazole (9CI)
CAS Number:
119596-69-9
Molecular Formula:
C14H9NS
Molecular Weight:
223.2930
IUPAC Name:
1H-phenaleno[2,1-d][1,3]thiazole
InChI:
InChI=1S/C14H9NS/c1-3-9-4-2-6-11-13(9)10(5-1)7-12-14(11)16-8-15-12/h1-5,7-8H,6H2
InChI Key:
TTYJSBQVJDMIPQ-UHFFFAOYSA-N
SMILES:
C1=Cc2cccc3c2c(C1)c1scnc1c3
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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