Home Carboxys tert-Butyl 4-carbamothioylpiperazine-1-carboxylate

tert-Butyl 4-carbamothioylpiperazine-1-carboxylate

CAS No.:
196811-66-2
Catalog Number:
AG00AQ4H
Molecular Formula:
C10H19N3O2S
Molecular Weight:
245.3418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$155
- +
1g
95%
In Stock USA
United States
$266
- +
Product Description
Catalog Number:
AG00AQ4H
Chemical Name:
tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
CAS Number:
196811-66-2
Molecular Formula:
C10H19N3O2S
Molecular Weight:
245.3418
MDL Number:
MFCD07787249
IUPAC Name:
tert-butyl 4-carbamothioylpiperazine-1-carboxylate
InChI:
InChI=1S/C10H19N3O2S/c1-10(2,3)15-9(14)13-6-4-12(5-7-13)8(11)16/h4-7H2,1-3H3,(H2,11,16)
InChI Key:
JBKRAGACGOPWFP-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=S)N)OC(C)(C)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.12g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.341g/mol
Monoisotopic Mass:
245.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties