200,000+ products from a single source!
sales@angenechem.com
73859-98-0 | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-phenyl-, 1-oxide
CAS No: 73859-98-0 Catalog No: AG005J9R MDL No:
Product Description
Catalog Number:
AG005J9R
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-phenyl-, 1-oxide
CAS Number:
73859-98-0
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
1-oxo-2-phenyl-3,5-dihydro-2H-1λ4,5-benzothiazepin-4-one
InChI:
InChI=1S/C15H13NO2S/c17-15-10-14(11-6-2-1-3-7-11)19(18)13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)
InChI Key:
GGXRRDIBUFTXIE-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2S(=O)C(C1)c1ccccc1
NSC Number:
667458
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.