Home Other Building Blocks 6-Bromo-3,4-dihydro-2h-s,s-di-oxo-thiochromen-4-amine, HCl

6-Bromo-3,4-dihydro-2h-s,s-di-oxo-thiochromen-4-amine, HCl

CAS No.:
1172986-17-2
Catalog Number:
AG000E2V
Molecular Formula:
C9H11BrClNO2S
Molecular Weight:
312.6111
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Product Description
Catalog Number:
AG000E2V
Chemical Name:
6-Bromo-3,4-dihydro-2h-s,s-di-oxo-thiochromen-4-amine, HCl
CAS Number:
1172986-17-2
Molecular Formula:
C9H11BrClNO2S
Molecular Weight:
312.6111
MDL Number:
MFCD11616744
IUPAC Name:
6-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
InChI:
InChI=1S/C9H10BrNO2S.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13;/h1-2,5,8H,3-4,11H2;1H
InChI Key:
WJWWQTOZSPMWQL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(N)CCS2(=O)=O.Cl
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.938g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.606g/mol
Monoisotopic Mass:
310.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties