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89717-41-9 | Pyrrolidine, 1-(5,6-dihydro-1,1,3,3-tetraoxido-4H-1,3-dithiocin-7-yl)-
CAS No: 89717-41-9 Catalog No: AG0042KX MDL No:
Product Description
Catalog Number:
AG0042KX
Chemical Name:
Pyrrolidine, 1-(5,6-dihydro-1,1,3,3-tetraoxido-4H-1,3-dithiocin-7-yl)-
CAS Number:
89717-41-9
Molecular Formula:
C10H17NO4S2
Molecular Weight:
279.3763
IUPAC Name:
7-pyrrolidin-1-yl-5,6-dihydro-4H-1,3-dithiocine 1,1,3,3-tetraoxide
InChI:
InChI=1S/C10H17NO4S2/c12-16(13)7-3-4-10(8-17(14,15)9-16)11-5-1-2-6-11/h8H,1-7,9H2
InChI Key:
QKDBGVPYWORHGU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCC(=CS(=O)(=O)C1)N1CCCC1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.369g/mol
Monoisotopic Mass:
279.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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