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

6-bromo-N-ethyl-3,4-dihydro-2H-1-benzothiopyran-4-amine

CAS No.:
1154177-90-8
Catalog Number:
AG01AARR
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
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Product Description
Catalog Number:
AG01AARR
Chemical Name:
6-bromo-N-ethyl-3,4-dihydro-2H-1-benzothiopyran-4-amine
CAS Number:
1154177-90-8
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
MDL Number:
MFCD12133522
IUPAC Name:
6-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
InChI:
InChI=1S/C11H14BrNS/c1-2-13-10-5-6-14-11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChI Key:
RPXFUNFOAAVJPC-UHFFFAOYSA-N
SMILES:
CCNC1CCSc2c1cc(Br)cc2
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.204g/mol
Monoisotopic Mass:
271.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties