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Home Halogens 6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine, Mixture of diastereomers

6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine, Mixture of diastereomers

CAS No.:
1154226-88-6
Catalog Number:
AG01AAYU
Molecular Formula:
C10H12BrNS
Molecular Weight:
258.1780
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Product Description
Catalog Number:
AG01AAYU
Chemical Name:
6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine, Mixture of diastereomers
CAS Number:
1154226-88-6
Molecular Formula:
C10H12BrNS
Molecular Weight:
258.1780
MDL Number:
MFCD12132510
IUPAC Name:
6-bromo-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
InChI:
InChI=1S/C10H12BrNS/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-4,6,10H,5,12H2,1H3
InChI Key:
ZHBGUCITSZSMQV-UHFFFAOYSA-N
SMILES:
CC1CSc2c(C1N)cc(cc2)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.987g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.177g/mol
Monoisotopic Mass:
256.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties