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87551-71-1 | Morpholine, 4-[2-(1,1,3,3-tetraoxido-1,3-dithian-2-yl)ethyl]-
CAS No: 87551-71-1 Catalog No: AG004MQT MDL No:
Product Description
Catalog Number:
AG004MQT
Chemical Name:
Morpholine, 4-[2-(1,1,3,3-tetraoxido-1,3-dithian-2-yl)ethyl]-
CAS Number:
87551-71-1
Molecular Formula:
C10H19NO5S2
Molecular Weight:
297.3916
IUPAC Name:
2-(2-morpholin-4-ylethyl)-1,3-dithiane 1,1,3,3-tetraoxide
InChI:
InChI=1S/C10H19NO5S2/c12-17(13)8-1-9-18(14,15)10(17)2-3-11-4-6-16-7-5-11/h10H,1-9H2
InChI Key:
BTULKVWWGJYSDU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCS(=O)(=O)C1CCN1CCOCC1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.384g/mol
Monoisotopic Mass:
297.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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