200,000+ products from a single source!
sales@angenechem.com
188625-66-3 | 1-Pyrrolidinecarboxylic acid, 2-(mercaptomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 188625-66-3 Catalog No: AG002H2F MDL No:
Product Description
Catalog Number:
AG002H2F
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(mercaptomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
188625-66-3
Molecular Formula:
C10H19NO2S
Molecular Weight:
217.3284
IUPAC Name:
tert-butyl (2S)-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-6-4-5-8(11)7-14/h8,14H,4-7H2,1-3H3/t8-/m0/s1
InChI Key:
FSQKKUYXPMRNJF-QMMMGPOBSA-N
SMILES:
SC[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.114g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.327g/mol
Monoisotopic Mass:
217.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.