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249-58-1 | Cyclohepta[4,5]pyrrolo[3,2-f]benzothiazole (8CI,9CI)
CAS No: 249-58-1 Catalog No: AG002PSL MDL No:
Product Description
Catalog Number:
AG002PSL
Chemical Name:
Cyclohepta[4,5]pyrrolo[3,2-f]benzothiazole (8CI,9CI)
CAS Number:
249-58-1
Molecular Formula:
C14H8N2S
Molecular Weight:
236.2917
IUPAC Name:
13-thia-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2,4,6,8,10,12(16),14-octaene
InChI:
InChI=1S/C14H8N2S/c1-2-4-9-10-6-13-14(17-8-15-13)7-12(10)16-11(9)5-3-1/h1-8H
InChI Key:
LFHRPCAGQUORRW-UHFFFAOYSA-N
SMILES:
c1ccc2c(cc1)c1c(n2)cc2c(c1)ncs2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.292g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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