200,000+ products from a single source!
sales@angenechem.com
139331-21-8 | 2H-1,4-Benzothiazin-3(4H)-one, 2-(3-bromopropyl)-
CAS No: 139331-21-8 Catalog No: AG001ARG MDL No:
Product Description
Catalog Number:
AG001ARG
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-(3-bromopropyl)-
CAS Number:
139331-21-8
Molecular Formula:
C11H12BrNOS
Molecular Weight:
286.1881
IUPAC Name:
2-(3-bromopropyl)-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C11H12BrNOS/c12-7-3-6-10-11(14)13-8-4-1-2-5-9(8)15-10/h1-2,4-5,10H,3,6-7H2,(H,13,14)
InChI Key:
VGWJUBAGAXVBJJ-UHFFFAOYSA-N
SMILES:
BrCCCC1Sc2ccccc2NC1=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.187g/mol
Monoisotopic Mass:
284.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.