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258-78-6 | 13H-Dibenzo[b,i]phenothiazine
CAS No: 258-78-6 Catalog No: AG006VF6 MDL No:
Product Description
Catalog Number:
AG006VF6
Chemical Name:
13H-Dibenzo[b,i]phenothiazine
CAS Number:
258-78-6
Molecular Formula:
C20H13NS
Molecular Weight:
299.3889
IUPAC Name:
2-thia-13-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
InChI:
InChI=1S/C20H13NS/c1-3-7-15-11-19-17(9-13(15)5-1)21-18-10-14-6-2-4-8-16(14)12-20(18)22-19/h1-12,21H
InChI Key:
YWQCUOPMWQPZTR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)Nc2c(S1)cc1c(c2)cccc1
NSC Number:
69712
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.391g/mol
Monoisotopic Mass:
299.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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