Home Carboxys tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate

tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate

CAS No.:
1255574-37-8
Catalog Number:
AG000NUP
Molecular Formula:
C10H17N3O5S
Molecular Weight:
291.3241
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG000NUP
Chemical Name:
tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
CAS Number:
1255574-37-8
Molecular Formula:
C10H17N3O5S
Molecular Weight:
291.3241
MDL Number:
MFCD17214272
IUPAC Name:
tert-butyl 1,1,3-trioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazine-5-carboxylate
InChI:
InChI=1S/C10H17N3O5S/c1-10(2,3)18-9(15)12-4-5-13-7(6-12)8(14)11-19(13,16)17/h7H,4-6H2,1-3H3,(H,11,14)
InChI Key:
IQYUMMQGKQJXIB-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)N2C1CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.322g/mol
Monoisotopic Mass:
291.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties