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38642-74-9

38642-74-9 | 10H-Phenothiazine-2-carbonitrile

CAS No: 38642-74-9 Catalog No: AG0038S0 MDL No:MFCD00129784

Product Description

Catalog Number:
AG0038S0
Chemical Name:
10H-Phenothiazine-2-carbonitrile
CAS Number:
38642-74-9
Molecular Formula:
C13H8N2S
Molecular Weight:
224.2810
MDL Number:
MFCD00129784
IUPAC Name:
10H-phenothiazine-2-carbonitrile
InChI:
InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H
InChI Key:
XZSIGWOVDPSPMG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)Nc1c(S2)cccc1
EC Number:
254-057-3
NSC Number:
170554

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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