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85586-49-8 | 4-(10H-PHENOTHIAZIN-10-YLMETHYL)-2,6-XYLENOL
CAS No: 85586-49-8 Catalog No: AG004UES MDL No:
Product Description
Catalog Number:
AG004UES
Chemical Name:
4-(10H-PHENOTHIAZIN-10-YLMETHYL)-2,6-XYLENOL
CAS Number:
85586-49-8
Molecular Formula:
C21H19NOS
Molecular Weight:
333.4467
IUPAC Name:
2,6-dimethyl-4-(phenothiazin-10-ylmethyl)phenol
InChI:
InChI=1S/C21H19NOS/c1-14-11-16(12-15(2)21(14)23)13-22-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)22/h3-12,23H,13H2,1-2H3
InChI Key:
BTQDOCBNRULPIM-UHFFFAOYSA-N
SMILES:
Oc1c(C)cc(cc1C)CN1c2ccccc2Sc2c1cccc2
EC Number:
287-852-9
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.449g/mol
Monoisotopic Mass:
333.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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