200,000+ products from a single source!
sales@angenechem.com
Home > Thiazole > 1006482-49-0
1006482-49-0 | 3,4-dihydro-2H-1,4-benzothiazin-1-one
CAS No: 1006482-49-0 Catalog No: AG019K6Q MDL No:MFCD08444492
Product Description
Catalog Number:
AG019K6Q
Chemical Name:
3,4-dihydro-2H-1,4-benzothiazin-1-one
CAS Number:
1006482-49-0
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD08444492
IUPAC Name:
3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide
InChI:
InChI=1S/C8H9NOS/c10-11-6-5-9-7-3-1-2-4-8(7)11/h1-4,9H,5-6H2
InChI Key:
ANRVBXAHQOMRFK-UHFFFAOYSA-N
SMILES:
O=S1CCNc2c1cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.