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88212-69-5 | Dibenzo[2,3:6,7]thiepino[4,5-d]thiazole
CAS No: 88212-69-5 Catalog No: AG004BY2 MDL No:
Product Description
Catalog Number:
AG004BY2
Chemical Name:
Dibenzo[2,3:6,7]thiepino[4,5-d]thiazole
CAS Number:
88212-69-5
Molecular Formula:
C15H9NS2
Molecular Weight:
267.3687
IUPAC Name:
3,13-dithia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
InChI:
InChI=1S/C15H9NS2/c1-3-7-12-10(5-1)14-15(17-9-16-14)11-6-2-4-8-13(11)18-12/h1-9H
InChI Key:
FJPDXFMXDIINIM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1ccccc1c1c2scn1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.364g/mol
Monoisotopic Mass:
267.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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