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19563-68-9 | Cyclopenta[4,5]pyrrolo[3,2-e]benzothiazole(8CI,9CI)
CAS No: 19563-68-9 Catalog No: AG00747R MDL No:
Product Description
Catalog Number:
AG00747R
Chemical Name:
Cyclopenta[4,5]pyrrolo[3,2-e]benzothiazole(8CI,9CI)
CAS Number:
19563-68-9
Molecular Formula:
C12H6N2S
Molecular Weight:
210.2544
IUPAC Name:
5-thia-3,10-diazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(15),2(6),3,7,9,11,13-heptaene
InChI:
InChI=1S/C12H6N2S/c1-2-7-8(3-1)14-9-4-5-10-12(11(7)9)13-6-15-10/h1-6H
InChI Key:
CQZQNXMOBLCYOP-UHFFFAOYSA-N
SMILES:
C1=CC2=Nc3c(C2=C1)c1ncsc1cc3
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.254g/mol
Monoisotopic Mass:
210.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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