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823801-69-0 | 2H-1,4-Benzothiazine, 3,5,6,7,8,8a-hexahydro-
CAS No: 823801-69-0 Catalog No: AG005CX3 MDL No:
Product Description
Catalog Number:
AG005CX3
Chemical Name:
2H-1,4-Benzothiazine, 3,5,6,7,8,8a-hexahydro-
CAS Number:
823801-69-0
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
IUPAC Name:
3,5,6,7,8,8a-hexahydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C8H13NS/c1-2-4-8-7(3-1)9-5-6-10-8/h8H,1-6H2
InChI Key:
NNMGGCATQMOUAB-UHFFFAOYSA-N
SMILES:
C1CCC2C(=NCCS2)C1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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