200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 21083-36-3
21083-36-3 | 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
CAS No: 21083-36-3 Catalog No: AG002L0D MDL No:
Product Description
Catalog Number:
AG002L0D
Chemical Name:
7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
CAS Number:
21083-36-3
Molecular Formula:
C7H4OS
Molecular Weight:
136.1711
IUPAC Name:
7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
InChI:
InChI=1S/C7H4OS/c8-7-5-3-1-2-4-6(5)9-7/h1-4H
InChI Key:
CAEMCYVDPUUSQT-UHFFFAOYSA-N
SMILES:
O=C1Sc2c1cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.168g/mol
Monoisotopic Mass:
135.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| A computational study of the formation and dimerization of benzothiet-2-one. | Organic letters 20080117 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.