200,000+ products from a single source!
sales@angenechem.com
864841-53-2 | 2H-1-BENZOTHIOPYRAN, 6-BROMO-3,4-DIHYDRO-4,4-DIMETHYL-, 1-OXIDE
CAS No: 864841-53-2 Catalog No: AG004Q8H MDL No:
Product Description
Catalog Number:
AG004Q8H
Chemical Name:
2H-1-BENZOTHIOPYRAN, 6-BROMO-3,4-DIHYDRO-4,4-DIMETHYL-, 1-OXIDE
CAS Number:
864841-53-2
Molecular Formula:
C11H13BrOS
Molecular Weight:
273.1893
IUPAC Name:
6-bromo-4,4-dimethyl-2,3-dihydrothiochromene 1-oxide
InChI:
InChI=1S/C11H13BrOS/c1-11(2)5-6-14(13)10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3
InChI Key:
ZZUMTQDABUXJPU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)CCS2=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.188g/mol
Monoisotopic Mass:
271.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.