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248-52-2 | 12H-[1]Benzothieno[3',2':4,5]cyclopenta[1,2-b]quinoline
CAS No: 248-52-2 Catalog No: AG002PHR MDL No:
Product Description
Catalog Number:
AG002PHR
Chemical Name:
12H-[1]Benzothieno[3',2':4,5]cyclopenta[1,2-b]quinoline
CAS Number:
248-52-2
Molecular Formula:
C18H11NS
Molecular Weight:
273.3516
IUPAC Name:
3-thia-20-azapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,12,14,16,18-nonaene
InChI:
InChI=1S/C18H11NS/c1-3-7-15-11(5-1)9-12-10-14-13-6-2-4-8-16(13)20-18(14)17(12)19-15/h1-9H,10H2
InChI Key:
KPGBHQHEAHQNDM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1c(c2)Cc2c1sc1c2cccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.353g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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