Home Carboxys tert-Butyl 3-thioxopiperazine-1-carboxylate

tert-Butyl 3-thioxopiperazine-1-carboxylate

CAS No.:
1182359-40-5
Catalog Number:
AG00HEFD
Molecular Formula:
C9H16N2O2S
Molecular Weight:
216.3005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$66
- +
250mg
95%
In Stock USA
United States
$123
- +
1g
95%
In Stock USA
United States
$246
- +
Product Description
Catalog Number:
AG00HEFD
Chemical Name:
tert-Butyl 3-thioxopiperazine-1-carboxylate
CAS Number:
1182359-40-5
Molecular Formula:
C9H16N2O2S
Molecular Weight:
216.3005
MDL Number:
MFCD19105267
IUPAC Name:
tert-butyl 3-sulfanylidenepiperazine-1-carboxylate
InChI:
InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)11-5-4-10-7(14)6-11/h4-6H2,1-3H3,(H,10,14)
InChI Key:
NDQGYAYVFMSQSU-UHFFFAOYSA-N
SMILES:
S=C1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.093g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.299g/mol
Monoisotopic Mass:
216.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties