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3929-80-4

3929-80-4 | 14H-Dibenzo[a,h]phenothiazine, 14-methyl-

CAS No: 3929-80-4 Catalog No: AG0075C2 MDL No:

Product Description

Catalog Number:
AG0075C2
Chemical Name:
14H-Dibenzo[a,h]phenothiazine, 14-methyl-
CAS Number:
3929-80-4
Molecular Formula:
C21H15NS
Molecular Weight:
313.4155
IUPAC Name:
13-methyl-2-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
InChI:
InChI=1S/C21H15NS/c1-22-18-12-10-15-7-3-5-9-17(15)21(18)23-19-13-11-14-6-2-4-8-16(14)20(19)22/h2-13H,1H3
InChI Key:
ARVMRUWPTNJBBX-UHFFFAOYSA-N
SMILES:
CN1c2ccc3c(c2Sc2c1c1ccccc1cc2)cccc3
NSC Number:
60902

Properties

Complexity:
438  
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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