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92-33-1 | 1-(10h-phenothiazin-2-yl)propan-1-one
CAS No: 92-33-1 Catalog No: AG006K56 MDL No:
Product Description
Catalog Number:
AG006K56
Chemical Name:
1-(10h-phenothiazin-2-yl)propan-1-one
CAS Number:
92-33-1
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
1-(10H-phenothiazin-2-yl)propan-1-one
InChI:
InChI=1S/C15H13NOS/c1-2-13(17)10-7-8-15-12(9-10)16-11-5-3-4-6-14(11)18-15/h3-9,16H,2H2,1H3
InChI Key:
XPGPHJNCOZQFAU-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)Nc1c(S2)cccc1
EC Number:
202-148-3
Properties
Complexity:
320
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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