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153953-26-5

153953-26-5 | 2H-1,4-Benzothiazine, 3,4-dihydro-7-Methyl-

CAS No: 153953-26-5 Catalog No: AG00AQO3 MDL No:MFCD11847755

Product Description

Catalog Number:
AG00AQO3
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-7-Methyl-
CAS Number:
153953-26-5
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD11847755
IUPAC Name:
7-methyl-3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C9H11NS/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10H,4-5H2,1H3
InChI Key:
RWIXAXMOFJECFX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)SCCN2

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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