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889877-07-0 | 2-Cyano-4H-benzo-1,4-thiazine
CAS No: 889877-07-0 Catalog No: AG01EYIN MDL No:
Product Description
Catalog Number:
AG01EYIN
Chemical Name:
2-Cyano-4H-benzo-1,4-thiazine
CAS Number:
889877-07-0
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
4H-1,4-benzothiazine-2-carbonitrile
InChI:
InChI=1S/C9H6N2S/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6,11H
InChI Key:
SXHZCFFQWLTTJQ-UHFFFAOYSA-N
SMILES:
N#CC1=CNc2c(S1)cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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