Home Aminos 3-(benzylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione hydrochloride

3-(benzylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione hydrochloride

CAS No.:
478945-35-6
Catalog Number:
AG019JEF
Molecular Formula:
C11H14ClNO2S
Molecular Weight:
259.7524
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Product Description
Catalog Number:
AG019JEF
Chemical Name:
3-(benzylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione hydrochloride
CAS Number:
478945-35-6
Molecular Formula:
C11H14ClNO2S
Molecular Weight:
259.7524
MDL Number:
MFCD00449129
IUPAC Name:
N-benzyl-1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride
InChI:
InChI=1S/C11H13NO2S.ClH/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10;/h1-7,11-12H,8-9H2;1H
InChI Key:
NNSSXXRHGRLDJP-UHFFFAOYSA-N
SMILES:
O=S1(=O)C=CC(C1)NCc1ccccc1.Cl
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.748g/mol
Monoisotopic Mass:
259.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties