Home Aminos 3-(aminomethyl)-4H-1lambda6,2,4-benzothiadiazine-1,1-dione hydrochloride

3-(aminomethyl)-4H-1lambda6,2,4-benzothiadiazine-1,1-dione hydrochloride

CAS No.:
117879-59-1
Catalog Number:
AG01ELOC
Molecular Formula:
C8H10ClN3O2S
Molecular Weight:
247.7019
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Product Description
Catalog Number:
AG01ELOC
Chemical Name:
3-(aminomethyl)-4H-1lambda6,2,4-benzothiadiazine-1,1-dione hydrochloride
CAS Number:
117879-59-1
Molecular Formula:
C8H10ClN3O2S
Molecular Weight:
247.7019
MDL Number:
MFCD31611709
IUPAC Name:
(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methanamine;hydrochloride
InChI:
InChI=1S/C8H9N3O2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)14(12,13)11-8;/h1-4H,5,9H2,(H,10,11);1H
InChI Key:
ZNBHMQOYRDPHFP-UHFFFAOYSA-N
SMILES:
NCC1=NS(=O)(=O)c2c(N1)cccc2.Cl
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.018g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.697g/mol
Monoisotopic Mass:
247.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties