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28140-93-4 | 10H-Phenothiazine-3-carbonitrile
CAS No: 28140-93-4 Catalog No: AG007L8P MDL No:MFCD00792555
Product Description
Catalog Number:
AG007L8P
Chemical Name:
10H-Phenothiazine-3-carbonitrile
CAS Number:
28140-93-4
Molecular Formula:
C13H8N2S
Molecular Weight:
224.2810
MDL Number:
MFCD00792555
IUPAC Name:
10H-phenothiazine-3-carbonitrile
InChI:
InChI=1S/C13H8N2S/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H
InChI Key:
PMWFJTLZEZSXEO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)Sc1c(N2)cccc1
UNII:
JLT2HJH4J3
NSC Number:
137200
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.281g/mol
Monoisotopic Mass:
224.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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