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2461-44-1 | 10H-Phenothiazine, 10-(2-oxiranylmethyl)-
CAS No: 2461-44-1 Catalog No: AG002OR6 MDL No:
Product Description
Catalog Number:
AG002OR6
Chemical Name:
10H-Phenothiazine, 10-(2-oxiranylmethyl)-
CAS Number:
2461-44-1
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
10-(oxiran-2-ylmethyl)phenothiazine
InChI:
InChI=1S/C15H13NOS/c1-3-7-14-12(5-1)16(9-11-10-17-11)13-6-2-4-8-15(13)18-14/h1-8,11H,9-10H2
InChI Key:
YPSVZBRVVWHLIY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(N2CC2CO2)cccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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