Home Halogens 3-amino-5-bromo-2-methyl-2,3-dihydro-1lambda6-benzothiophene-1,1-dione, trans

3-amino-5-bromo-2-methyl-2,3-dihydro-1lambda6-benzothiophene-1,1-dione, trans

CAS No.:
1807920-02-0
Catalog Number:
AG01BFA6
Molecular Formula:
C9H10BrNO2S
Molecular Weight:
276.1502
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Product Description
Catalog Number:
AG01BFA6
Chemical Name:
3-amino-5-bromo-2-methyl-2,3-dihydro-1lambda6-benzothiophene-1,1-dione, trans
CAS Number:
1807920-02-0
Molecular Formula:
C9H10BrNO2S
Molecular Weight:
276.1502
MDL Number:
MFCD28118542
IUPAC Name:
(2R,3S)-5-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
InChI:
InChI=1S/C9H10BrNO2S/c1-5-9(11)7-4-6(10)2-3-8(7)14(5,12)13/h2-5,9H,11H2,1H3/t5-,9-/m1/s1
InChI Key:
HSLYDEAOOXOAAK-MLUIRONXSA-N
SMILES:
Brc1ccc2c(c1)[C@H](N)[C@H](S2(=O)=O)C
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
274.962g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.148g/mol
Monoisotopic Mass:
274.962g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties