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155721-39-4 | Aziridine, 1-[(4-methylphenyl)sulfonyl]-2,3-dipropyl-, (2R,3R)-rel-
CAS No: 155721-39-4 Catalog No: AG001O5J MDL No:
Product Description
Catalog Number:
AG001O5J
Chemical Name:
Aziridine, 1-[(4-methylphenyl)sulfonyl]-2,3-dipropyl-, (2R,3R)-rel-
CAS Number:
155721-39-4
Molecular Formula:
C15H23NO2S
Molecular Weight:
281.4136
IUPAC Name:
(2S,3S)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
InChI:
InChI=1S/C15H23NO2S/c1-4-6-14-15(7-5-2)16(14)19(17,18)13-10-8-12(3)9-11-13/h8-11,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChI Key:
ADTOHIPDZDITBB-GJZGRUSLSA-N
SMILES:
CCC[C@@H]1[C@H](N1S(=O)(=O)c1ccc(cc1)C)CCC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
281.145g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.414g/mol
Monoisotopic Mass:
281.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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