200,000+ products from a single source!
sales@angenechem.com
1128-46-7 | 4,1-Benzothiazepin-2(3H)-one, 1,5-dihydro-
CAS No: 1128-46-7 Catalog No: AG0081RK MDL No:
Product Description
Catalog Number:
AG0081RK
Chemical Name:
4,1-Benzothiazepin-2(3H)-one, 1,5-dihydro-
CAS Number:
1128-46-7
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
1,5-dihydro-4,1-benzothiazepin-2-one
InChI:
InChI=1S/C9H9NOS/c11-9-6-12-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChI Key:
JOGGWBCSSCRGPG-UHFFFAOYSA-N
SMILES:
O=C1CSCc2c(N1)cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.