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6945-69-3 | 7-methyl-7h-dibenzo[c,h]phenothiazine
CAS No: 6945-69-3 Catalog No: AG006DEH MDL No:
Product Description
Catalog Number:
AG006DEH
Chemical Name:
7-methyl-7h-dibenzo[c,h]phenothiazine
CAS Number:
6945-69-3
Molecular Formula:
C21H15NS
Molecular Weight:
313.4155
IUPAC Name:
13-methyl-2-thia-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
InChI:
InChI=1S/C21H15NS/c1-22-18-12-10-14-6-2-4-8-16(14)20(18)23-21-17-9-5-3-7-15(17)11-13-19(21)22/h2-13H,1H3
InChI Key:
DXIYXZJPVPLAQG-UHFFFAOYSA-N
SMILES:
CN1c2ccc3c(c2Sc2c1ccc1c2cccc1)cccc3
NSC Number:
52519
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.418g/mol
Monoisotopic Mass:
313.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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