Home Other Building Blocks hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-1,1-dione hydrochloride

hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-1,1-dione hydrochloride

CAS No.:
2137989-56-9
Catalog Number:
AG01EI0T
Molecular Formula:
C5H12ClN3O2S
Molecular Weight:
213.6857
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Product Description
Catalog Number:
AG01EI0T
Chemical Name:
hexahydro-2H-1lambda6-[1,2,5]thiadiazolo[2,3-a]piperazine-1,1-dione hydrochloride
CAS Number:
2137989-56-9
Molecular Formula:
C5H12ClN3O2S
Molecular Weight:
213.6857
MDL Number:
MFCD31439539
IUPAC Name:
3,3a,4,5,6,7-hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyrazine 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C5H11N3O2S.ClH/c9-11(10)7-4-5-3-6-1-2-8(5)11;/h5-7H,1-4H2;1H
InChI Key:
DTUZSWIKDMAOIF-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCC2N1CCNC2.Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
213.68g/mol
Monoisotopic Mass:
213.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties