Home Other Building Blocks octahydro-2H-1,4-benzothiazine

octahydro-2H-1,4-benzothiazine

CAS No.:
29442-16-8
Catalog Number:
AG019YTE
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
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Product Description
Catalog Number:
AG019YTE
Chemical Name:
octahydro-2H-1,4-benzothiazine
CAS Number:
29442-16-8
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
MDL Number:
MFCD20278771
IUPAC Name:
3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine
InChI:
InChI=1S/C8H15NS/c1-2-4-8-7(3-1)9-5-6-10-8/h7-9H,1-6H2
InChI Key:
WBNHBYBUEYNWRX-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)SCCN2
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.093g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.275g/mol
Monoisotopic Mass:
157.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties