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852547-22-9 | 4-Thiazolidinecarboxamide, 2,2,4-trimethyl-, (4S)-
CAS No: 852547-22-9 Catalog No: AG004PTG MDL No:
Product Description
Catalog Number:
AG004PTG
Chemical Name:
4-Thiazolidinecarboxamide, 2,2,4-trimethyl-, (4S)-
CAS Number:
852547-22-9
Molecular Formula:
C7H14N2OS
Molecular Weight:
174.2639
IUPAC Name:
(4S)-2,2,4-trimethyl-1,3-thiazolidine-4-carboxamide
InChI:
InChI=1S/C7H14N2OS/c1-6(2)9-7(3,4-11-6)5(8)10/h9H,4H2,1-3H3,(H2,8,10)/t7-/m1/s1
InChI Key:
HBTNPJXJMJNDJU-SSDOTTSWSA-N
SMILES:
NC(=O)[C@@]1(C)CSC(N1)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.262g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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