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Home > Thiazole > 1217721-94-2
1217721-94-2 | (S)-alpha-(4-thiazolylmethyl)-proline-HCl
CAS No: 1217721-94-2 Catalog No: AG018PWJ MDL No:MFCD06659365
Product Description
Catalog Number:
AG018PWJ
Chemical Name:
(S)-alpha-(4-thiazolylmethyl)-proline-HCl
CAS Number:
1217721-94-2
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD06659365
IUPAC Name:
(2S)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H12N2O2S.ClH/c12-8(13)9(2-1-3-11-9)4-7-5-14-6-10-7;/h5-6,11H,1-4H2,(H,12,13);1H/t9-;/m0./s1
InChI Key:
ODGPCCFOUUMYSR-FVGYRXGTSA-N
SMILES:
OC(=O)[C@]1(CCCN1)Cc1cscn1.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.725g/mol
Monoisotopic Mass:
248.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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