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89717-30-6 | Pyrrolidine, 1-(5,6-dihydro-2-methyl-1,1-dioxido-2H-thiopyran-3-yl)-
CAS No: 89717-30-6 Catalog No: AG0043VY MDL No:
Product Description
Catalog Number:
AG0043VY
Chemical Name:
Pyrrolidine, 1-(5,6-dihydro-2-methyl-1,1-dioxido-2H-thiopyran-3-yl)-
CAS Number:
89717-30-6
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
IUPAC Name:
6-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
InChI:
InChI=1S/C10H17NO2S/c1-9-10(11-6-2-3-7-11)5-4-8-14(9,12)13/h5,9H,2-4,6-8H2,1H3
InChI Key:
GQOKNEMLSZOHKR-UHFFFAOYSA-N
SMILES:
CC1C(=CCCS1(=O)=O)N1CCCC1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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