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19351-18-9 | 2,2-Dimethylthiazolidine
CAS No: 19351-18-9 Catalog No: AG00I2YW MDL No:MFCD00014488
Product Description
Catalog Number:
AG00I2YW
Chemical Name:
2,2-Dimethylthiazolidine
CAS Number:
19351-18-9
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD00014488
IUPAC Name:
2,2-dimethyl-1,3-thiazolidine
InChI:
InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
InChI Key:
SNPQRYOQWLOTFA-UHFFFAOYSA-N
SMILES:
CC1(C)NCCS1
EC Number:
242-980-4
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Stabilization of the biologically active conformation of the principal neutralizing determinant of HIV-1(IIIB) containing a cis-proline surrogate: 1H NMR and molecular modeling study. | Biochemistry 20060404 |
| A case study of 2,2-dimethylthiazolidine as locked cis proline amide bond: synthesis, NMR and molecular modeling studies of a delta-conotoxin EVIA peptide analog. | Organic & biomolecular chemistry 20040907 |
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