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71913-07-0 | 3,3'-PROPYLENEBIS-10H-PHENOTHIAZINE
CAS No: 71913-07-0 Catalog No: AG0061GD MDL No:
Product Description
Catalog Number:
AG0061GD
Chemical Name:
3,3'-PROPYLENEBIS-10H-PHENOTHIAZINE
CAS Number:
71913-07-0
Molecular Formula:
C27H22N2S2
Molecular Weight:
438.6070
IUPAC Name:
3-[1-(10H-phenothiazin-3-yl)propan-2-yl]-10H-phenothiazine
InChI:
InChI=1S/C27H22N2S2/c1-17(19-11-13-23-27(16-19)31-25-9-5-3-7-21(25)29-23)14-18-10-12-22-26(15-18)30-24-8-4-2-6-20(24)28-22/h2-13,15-17,28-29H,14H2,1H3
InChI Key:
JDIHUWWOVUQTGB-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)Sc1c(N2)cccc1)Cc1ccc2c(c1)Sc1c(N2)cccc1
EC Number:
276-177-5
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.122g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.607g/mol
Monoisotopic Mass:
438.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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