200,000+ products from a single source!
sales@angenechem.com
87697-10-7 | 2H-1,6-Benzothiazocine, 6-acetyl-3,4,5,6-tetrahydro-5-(2-thienyl)-
CAS No: 87697-10-7 Catalog No: AG004GLQ MDL No:
Product Description
Catalog Number:
AG004GLQ
Chemical Name:
2H-1,6-Benzothiazocine, 6-acetyl-3,4,5,6-tetrahydro-5-(2-thienyl)-
CAS Number:
87697-10-7
Molecular Formula:
C16H17NOS2
Molecular Weight:
303.4423
IUPAC Name:
1-(5-thiophen-2-yl-2,3,4,5-tetrahydro-1,6-benzothiazocin-6-yl)ethanone
InChI:
InChI=1S/C16H17NOS2/c1-12(18)17-13-6-2-3-8-15(13)19-10-4-7-14(17)16-9-5-11-20-16/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3
InChI Key:
CVSWNRFRHGIDNK-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(CCCSc2c1cccc2)c1cccs1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.438g/mol
Monoisotopic Mass:
303.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.