200,000+ products from a single source!
sales@angenechem.com
Home > Thiazole > 1556050-37-3
1556050-37-3 | 8-methyl-2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1-dione
CAS No: 1556050-37-3 Catalog No: AG01BPGL MDL No:MFCD30500224
Product Description
Catalog Number:
AG01BPGL
Chemical Name:
8-methyl-2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1-dione
CAS Number:
1556050-37-3
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD30500224
IUPAC Name:
8-methyl-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
InChI:
InChI=1S/C10H13NO2S/c1-8-3-4-9-10(7-8)14(12,13)6-2-5-11-9/h3-4,7,11H,2,5-6H2,1H3
InChI Key:
REWNLPRIBBDLPF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)S(=O)(=O)CCCN2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.