Home Halogens 6-bromo-3,4-dihydro-2H-1-benzothiopyran

6-bromo-3,4-dihydro-2H-1-benzothiopyran

CAS No.:
109209-87-2
Catalog Number:
AG01ALP9
Molecular Formula:
C9H9BrS
Molecular Weight:
229.1368
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Product Description
Catalog Number:
AG01ALP9
Chemical Name:
6-bromo-3,4-dihydro-2H-1-benzothiopyran
CAS Number:
109209-87-2
Molecular Formula:
C9H9BrS
Molecular Weight:
229.1368
MDL Number:
MFCD22035461
IUPAC Name:
6-bromo-3,4-dihydro-2H-thiochromene
InChI:
InChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChI Key:
IVHBQBNIGBXJKX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCCS2
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.961g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.135g/mol
Monoisotopic Mass:
227.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties