200,000+ products from a single source!
sales@angenechem.com
145013-05-4 | Thiodiimidotricarbonic acid ([(HO)C(O)NH]2C(S)), 1,5-bis(1,1-dimethylethyl) ester
CAS No: 145013-05-4 Catalog No: AG001KGH MDL No:MFCD03093917
Product Description
Catalog Number:
AG001KGH
Chemical Name:
Thiodiimidotricarbonic acid ([(HO)C(O)NH]2C(S)), 1,5-bis(1,1-dimethylethyl) ester
CAS Number:
145013-05-4
Molecular Formula:
C11H20N2O4S
Molecular Weight:
276.3525
MDL Number:
MFCD03093917
IUPAC Name:
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
InChI:
InChI=1S/C11H20N2O4S/c1-10(2,3)16-8(14)12-7(18)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,14,15,18)
InChI Key:
CSOJECDGWHHWRS-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.351g/mol
Monoisotopic Mass:
276.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Guanidinium and aminoimidazolinium derivatives of N-(4-piperidyl)propanamides as potential ligands for mu opioid and I2-imidazoline receptors: synthesis and pharmacological screening. | Bioorganic & medicinal chemistry 20020401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.