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1698-80-2 | 10H-Phenothiazine-10-propanenitrile
CAS No: 1698-80-2 Catalog No: AG00ADLP MDL No:MFCD00158914
Product Description
Catalog Number:
AG00ADLP
Chemical Name:
10H-Phenothiazine-10-propanenitrile
CAS Number:
1698-80-2
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
MDL Number:
MFCD00158914
IUPAC Name:
3-phenothiazin-10-ylpropanenitrile
InChI:
InChI=1S/C15H12N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,11H2
InChI Key:
YYDIIBWHOHWIOM-UHFFFAOYSA-N
SMILES:
N#CCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and analgesic evaluation of some 5-[beta-(10-phenothiazinyl)ethyl]-1-(acyl)-1,2,3,4-tetrazoles. | European journal of medicinal chemistry 20040301 |
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